SCHEMBL890934

SCHEMBL890934

N#Cc1cccc(Nc2ccccc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.64
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 7/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 1/20 0.54
HDAC1 Q13547 1/20 0.51
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49
APP P05067 1/20 0.49
ALOX15 P16050 1/20 0.49
SNCA P37840 1/20 0.49

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
SCHEMBL7166997 0.82 MAPT (0.75) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL2508326 0.81 CDC7 (0.51) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL16481495 0.81 ALDH1A1 (0.49) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL5901016 0.81 GAA (0.65) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL16481061 0.80 SYK (0.52) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL30679771 0.80 SLC2A1 (0.67) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL21436780 0.80 SLC2A1 (0.67) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL953597 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16481497 0.79 ALDH1A1 (0.61) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL6156438 0.78 ALDH1A1 (0.61) GAAALDH1A1KDM4EMAPTMEN1

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
CN-111747937-B 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-01-14 CN disclosed
CN-111747937-A 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN disclosed
WO-2020199998-A1 1,3,5-TRIAZINE COMPOUND AND COMPOSITION, AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 WO disclosed
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-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
CN-103476767-B Heterocyclic compounds as PI3 kinase inhibitors HOFFMANN LA ROCHE 2015-06-10 CN disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-6835739-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-12-28 US disclosed
US-20040097561-A1 For therapy of thrombosis MILLENNIUM PHARMACEUTICALS, INC. 2004-05-20 US disclosed
US-20030162690-A1 Bood anticoagulant COR THERAPEUTICS, INC. 2003-08-28 US disclosed
EP-1259485-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-11-27 EP disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
US-6376515-B2 DERIVATIVES OF A 2-((4-AMIDINYLPHENYL)-CARBONYLAMINO-1,2-PHENYLENE)-CARBONYLAMINO-) PYRIDINE; POTENT AND HIGHLY SELECTIVE ANTICOAGULANTS; BIOAVAILABILITY AND/OR SOLUBILITY; PREVENTION AND TREATMENT OF THROMBOSIS AND COAGULATION COR THERAPEUTICS, INC. 2002-04-23 US disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO 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 (7 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 GAA 209/4885ALDH1A1 2339/4885KDM4E 1933/4885
US-20040097561-A1 For therapy of thrombosis F2, F12, TFPI GAA 473/4885ALDH1A1 1306/4885KDM4E 2943/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 GAA 209/4885ALDH1A1 2339/4885KDM4E 1933/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 GAA 209/4885ALDH1A1 2339/4885KDM4E 1933/4885
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT GAA 1714/4885ALDH1A1 755/4885KDM4E 1946/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 GAA 209/4885ALDH1A1 2339/4885KDM4E 1933/4885
US-20030162690-A1 Bood anticoagulant F2, SERPINC1, HABP2 GAA 1584/4885ALDH1A1 1625/4885KDM4E 2375/4885

“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.