SCHEMBL3868291

SCHEMBL3868291

Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.76
PRKCA P17252 7/20 0.76
PRKCD Q05655 4/20 0.76
EGFR P00533 3/20 0.76
BCR P11274 10/20 0.74
SRC P12931 4/20 0.74
PRKACA P17612 1/20 0.74
PRKACG P22612 1/20 0.74
PRKACB P22694 1/20 0.74
ABL2 P42684 1/20 0.66
HDAC1 Q13547 1/20 0.63
IKBKB O14920 2/20 0.62
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
PTK2 Q05397 1/20 0.59
PLK1 P53350 1/20 0.59
PRKD3 O94806 1/20 0.58
PRKCG P05129 1/20 0.58
PRKCB P05771 1/20 0.58
LCK P06239 1/20 0.58

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
SCHEMBL6262145 0.87 ABL1 (1.00) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7461475 0.86 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7464205 0.86 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7476133 0.86 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL29618427 0.85 ABL1 (0.85) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7474975 0.85 ABL1 (0.71) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL1465 0.85 ABL1 (1.00) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL30175794 0.85 ABL1 (0.73) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7470673 0.84 IKBKB (0.81) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL4903328 0.84 MAPK8 (0.81) ABL1PRKCAPRKCDEGFRBCR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO disclosed
US-20040248918-A1 Anticancer agents IL YANG PHARM. CO., LTD. 2004-12-09 US disclosed
WO-2004099187-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM. CO. LTD. (KR) 2004-11-18 WO disclosed
WO-2004099186-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO., LTD. (KR) 2004-11-18 WO disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP 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 (2 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885PRKCA 2607/4885PRKCD 2034/4885
US-20040248918-A1 Anticancer agents BRDT, CHIA, RNASE1 ABL1 1106/4885PRKCA 2433/4885PRKCD 4349/4885

“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.