SCHEMBL4903317

SCHEMBL4903317

Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.70
BCR P11274 3/20 0.70
SRC P12931 2/20 0.70
IKBKB O14920 4/20 0.67
CAMK2D Q13557 1/20 0.58
AURKA O14965 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CDK2 P24941 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
PLK1 P53350 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL7470875 0.84 PLK1 (0.63) ABL1BCRSRCCAMK2DAURKA
SCHEMBL7467852 0.84 PIK3CA (0.65) ABL1BCRSRCCAMK2DCDK4
SCHEMBL7470313 0.84 ABL1 (0.58) ABL1BCRSRCIKBKBCAMK2D
SCHEMBL25336685 0.84 IKBKB (0.63) ABL1BCRSRCIKBKBCAMK2D
SCHEMBL31119043 0.84 IKBKB (0.63) ABL1BCRSRCIKBKBCAMK2D
SCHEMBL4029958 0.84 ABL1 (0.72) ABL1BCRSRCIKBKBCAMK2D
SCHEMBL3868291 0.84 ABL1 (0.76) ABL1BCRSRCIKBKBPLK1
SCHEMBL7472770 0.83 ABL1 (0.67) ABL1BCRSRCIKBKBCAMK2D
SCHEMBL1789 0.82 ABL1 (1.00) ABL1BCRSRCCAMK2DCDK4
SCHEMBL4903457 0.81 MAPK8 (0.81) ABL1BCRSRCIKBKBCAMK2D

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 11 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-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
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
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 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 (1 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 2843/4885BCR 2315/4885SRC 3368/4885

“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.