SCHEMBL4894535

SCHEMBL4894535

Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.62
AURKA O14965 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
IKBKB O14920 1/20 0.54
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
PRKCA P17252 1/20 0.54
PLK4 O00444 1/20 0.51
PLK1 P53350 1/20 0.51

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
Hydrochloric Acid SCHEMBL10769093 0.98 SYK (0.60) SYKAURKACDK1CDK4CDK2
SCHEMBL7470857 0.87 ABL1 (0.63) SYKAURKACDK1CDK4CDK2
SCHEMBL7464407 0.85 SYK (0.59) SYKCDK4CDK2ABL1BCR
SCHEMBL4903508 0.84 ABL1 (0.67) SYKCDK4CDK2ABL1BCR
SCHEMBL4903032 0.82 MAPK8 (0.74) SYKAURKACDK4CDK2IKBKB
SCHEMBL7469285 0.82 IKBKB (0.74) AURKACDK1CDK4CDK2CDK7
SCHEMBL7469378 0.81 PIK3CA (0.62) SYKCDK2IKBKBPLK1
SCHEMBL7476302 0.81 CDK2 (0.58) SYKAURKACDK1CDK4CDK2
SCHEMBL7460307 0.81 SYK (0.55) SYKABL1BCRPRKCA
SCHEMBL7464938 0.81 KDR (0.64) SYKCDK4CDK2ABL1BCR

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 10 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

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 SYK 2145/4885AURKA 2479/4885CDK1 264/4885

“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.