SCHEMBL8147309

SCHEMBL8147309

Cc1cc(C(=N)N)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.67
PRSS3 P35030 5/20 0.67
PRSS2 P07478 4/20 0.67
C1S P09871 2/20 0.45
PLAU P00749 3/20 0.44
F2 P00734 3/20 0.44
PLG P00747 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
LMNA P02545 2/20 0.43
F12 P00748 1/20 0.42
F10 P00742 2/20 0.41
MASP2 O00187 1/20 0.41
THPO P40225 1/20 0.41
NQO2 P16083 1/20 0.40
APEX1 P27695 1/20 0.40
PIM1 P11309 1/20 0.40
ST14 Q9Y5Y6 1/20 0.39

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
SCHEMBL12834788 0.83 PRSS1 (0.67) PRSS1PRSS3PRSS2C1SPLAU
Hydrochloric Acid SCHEMBL1435908 0.82 PRSS1 (0.64) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL19661710 0.81 PRSS1 (0.42) PRSS1PRSS3PRSS2PIM1
SCHEMBL1262883 0.80 CES2 (0.54) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL8404520 0.80 PRSS1 (1.00) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL580392 0.79 PARP1 (0.48) PIM1
Hydrochloric Acid SCHEMBL3515941 0.78 LMNA (0.52) PRSS1PRSS3PRSS2C1SPLAU
Hydrochloric Acid SCHEMBL5118627 0.78 PRSS1 (0.95) PRSS1PRSS3PRSS2C1SPLAU
Hydrochloric Acid SCHEMBL27709063 0.78 PARP1 (0.47) PIM1
Hydrochloric Acid SCHEMBL9340400 0.77 CES2 (0.50) PRSS1PRSS3PRSS2C1SPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US 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-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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
EP-2788333-B1 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
EP-2804854-B1 SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 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-7342013-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-11 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-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-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 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
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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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 (5 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-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 PRSS1 36/4885PRSS3 47/4885PRSS2 38/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS3 88/4885PRSS2 47/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS3 88/4885PRSS2 47/4885
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 PRSS1 38/4885PRSS3 86/4885PRSS2 49/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 PRSS1 29/4885PRSS3 88/4885PRSS2 47/4885

“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.