SCHEMBL5261001

SCHEMBL5261001

Cc1ccc(F)c(Nc2ccnc(Cl)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.54
CDK2 P24941 5/20 0.54
CCNE1 P24864 1/20 0.54
GRM4 Q14833 1/20 0.43
KCNN3 Q9UGI6 1/20 0.40
AURKA O14965 1/20 0.40
APP P05067 1/20 0.39
GRM5 P41594 1/20 0.39
MAPK10 P53779 1/20 0.38
SYK P43405 1/20 0.37
PIK3CG P48736 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL7767535 0.95 CDK2 (0.50) CDK4CDK2CCNE1GRM4KCNN3
SCHEMBL5388892 0.85 MAPK14 (0.46) CDK4CDK2CCNE1MAPK10SYK
SCHEMBL658219 0.85 CDK4 (0.47) CDK4CDK2CCNE1AURKASYK
SCHEMBL4433403 0.82 MEN1 (0.43) CDK4CDK2CCNE1APPPIK3CG
SCHEMBL5397901 0.80 CDK2 (0.47) CDK4CDK2CCNE1AURKAAPP
SCHEMBL5402771 0.79 RAB9A (0.44) CDK4CDK2CCNE1SYKPIK3CG
SCHEMBL18386919 0.79 APP (0.40) CDK4CDK2CCNE1APPMAPK10
SCHEMBL4433335 0.79 RECQL (0.41) CDK4CDK2CCNE1AURKAGRM5
SCHEMBL14611819 0.79 CDK4 (0.51) CDK4CDK2CCNE1GRM4KCNN3
SCHEMBL12813310 0.78 AURKA (0.61) CDK4CDK2AURKAMAPK10SYK

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
CN-100445270-C Pyrimidine compounds ASTRAZENECA AB (SE) 2008-12-24 CN disclosed
EP-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US disclosed
EP-1107957-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB 2005-04-28 US disclosed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US disclosed
CN-1406231-A Pyrimidine compounds ASTRAZENECA AB (SE) 2003-03-26 CN disclosed
EP-1272477-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001064654-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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 (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-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-0 CDK4 113/4885CDK2 74/4885CCNE1 22/4885
US-20030149064-A1 Pyrimidine compounds CDK2, CCNI, CCNY CDK4 11/4885CDK2 1/4885CCNE1 4/4885

“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.