SCHEMBL3270075

SCHEMBL3270075

Oc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.82
▸ GSK3B P49841 1/20 0.73
▸ SYK P43405 2/20 0.70
▸ CDK2 P24941 4/20 0.68
▸ CDK1 P06493 3/20 0.68
▸ KDR P35968 1/20 0.68
▸ MAPK8 P45983 2/20 0.62
▸ CDK19 Q9BWU1 1/20 0.62
▸ ALK Q9UM73 1/20 0.62
▸ AURKA O14965 7/20 0.60
▸ CCNB1 P14635 1/20 0.58
▸ CCNE1 P24864 1/20 0.58
▸ CDK4 P11802 1/20 0.57

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
SCHEMBL4459525 0.91 IGF1R (1.00) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL3275303 0.87 SYK (0.92) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL6826392 0.87 AURKA (0.67) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL5261726 0.87 IGF1R (0.85) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL3276895 0.85 IGF1R (0.82) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL5262378 0.85 GSK3B (1.00) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL3270189 0.82 IGF1R (0.72) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL656905 0.82 SYK (1.00) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL6643538 0.82 IGF1R (0.63) IGF1RGSK3BSYKCDK2CDK1
SCHEMBL2936141 0.82 IGF1R (0.76) IGF1RGSK3BSYKCDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 — — EP disclosed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 — — US disclosed
CN-1220684-C 2,4,Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2005-09-28 — — CN disclosed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 — — US disclosed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 — — US disclosed
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 — — EP disclosed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 — — US disclosed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 — — US disclosed
CN-1416423-A 2,4,Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-05-07 — — CN disclosed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 — — EP disclosed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 — — EP disclosed
WO-2001064656-A1 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 — — WO disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 — — 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-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 IGF1R 967/4885GSK3B 572/4885SYK 116/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI IGF1R 1072/4885GSK3B 568/4885SYK 119/4885

“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.

Send feedback