SCHEMBL10177952

SCHEMBL10177952

Cc1ncc(Cl)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
CHRNA4 P43681 4/20 0.40
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30681117 0.78 ALDH1A1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19CSNK1A1
SCHEMBL1031743 0.78 ALDH1A1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19CSNK1A1
SCHEMBL7215518 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1
SCHEMBL11072484 0.78 ALDH1A1 (0.56) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22066216 0.77 HTT (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12099239 0.77 ALDH1A1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CSNK1A1
SCHEMBL5213123 0.75 CSNK1A1 (0.50) NPSR1CYP1A2CYP2C19CSNK1A1CLK4
SCHEMBL20782231 0.75 CYP11B2 (0.38) NPSR1CYP1A2CYP2C9CYP2C19CSNK1A1
SCHEMBL21604785 0.75 KDM4E (0.40) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1
SCHEMBL31200432 0.75 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
WO-2019044868-A1 PYRIMIDINE DERIVATIVE あすか製薬株式会社 2019-03-07 WO disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727982-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 CHRNB2 1746/4885CHRNB4 2623/4885CHRNA3 1260/4885
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS CHRNB2 4389/4885CHRNB4 4673/4885CHRNA3 4148/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 CHRNB2 896/4885CHRNB4 1448/4885CHRNA3 1409/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG CHRNB2 4464/4885CHRNB4 4692/4885CHRNA3 4278/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 CHRNB2 4219/4885CHRNB4 4567/4885CHRNA3 3917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.