SCHEMBL2115684

SCHEMBL2115684

Clc1cccc(Nc2nccc(Cl)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.62
BCR P11274 1/20 0.62
PRKCA P17252 1/20 0.62
PRKCD Q05655 1/20 0.62
CAMK2D Q13557 4/20 0.60
IGF1R P08069 1/20 0.60
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
HTR3A P46098 1/20 0.59
ROCK1 Q13464 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
CDK2 P24941 3/20 0.59
CDK4 P11802 1/20 0.56
SYK P43405 2/20 0.56
KDR P35968 1/20 0.55
PLK1 P53350 1/20 0.55
EPHB4 P54760 1/20 0.53
MAOB P27338 1/20 0.52
GRM5 P41594 1/20 0.52

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
SCHEMBL14380911 0.89 IGF1R (0.74) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL31046257 0.84 AURKA (0.73) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3951245 0.84 HDAC6 (0.58) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL30847380 0.84 CDK2 (0.55) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL27111928 0.84 CDK2 (0.55) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL4255796 0.84 ABL1 (0.59) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3439832 0.83 SYK (0.64) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL857880 0.82 AURKA (0.70) ABL1PRKCAPRKCDCAMK2DROCK1
SCHEMBL3513778 0.81 CAMK2D (0.73) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL14368039 0.80 CDK5 (0.53) ABL1BCRPRKCAPRKCDIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
CN-101506176-A 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN disclosed
CN-101506175-A 2-anilino-4-(heterocyclic)amino-pyrimidines as inhibitors of protein kinase C-alpha BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN disclosed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
WO-2007109045-A1 HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA NOVARTIS AG (CH) 2007-09-27 WO disclosed
WO-2007109045-A1 HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA NOVARTIS AG (CH) 2007-09-27 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 (3 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH ABL1 591/4885BCR 1904/4885PRKCA 1/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ABL1 591/4885BCR 1904/4885PRKCA 1/4885
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG ABL1 618/4885BCR 1589/4885PRKCA 1/4885

“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.