SCHEMBL4978460

SCHEMBL4978460

COc1ccc(C(=O)Nc2nc3c(C)cccc3n2N(C)c2ccnc(Nc3ccc(C)c(S(N)(=O)=O)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.43
LCK P06239 7/20 0.43
SRC P12931 7/20 0.43
CA2 P00918 3/20 0.43
AURKA O14965 2/20 0.43
RIPK1 Q13546 2/20 0.43
RIPK3 Q9Y572 2/20 0.43
BLK P51451 2/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
ABCC4 O15439 1/20 0.43
RIPK2 O43353 1/20 0.43
CA12 O43570 1/20 0.43
PIP5K1C O60331 1/20 0.43
JAK2 O60674 1/20 0.43
STK16 O75716 1/20 0.43
STK10 O94804 1/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL4978457 0.86 KDR (0.47) KDRLCKSRCCA2AURKA
SCHEMBL4977164 0.83 ALDH1A1 (0.51) KDRLCKSRCPTK6MEN1
SCHEMBL4976787 0.81 KDR (0.49) KDRLCKSRCCA2AURKA
SCHEMBL4976793 0.81 KDR (0.51) KDRLCKSRCCA2AURKA
SCHEMBL4977109 0.80 IKBKB (0.48) KDRLCKSRCCA2AURKA
SCHEMBL4978600 0.80 LMNA (0.46) KDRLCKSRCCA2AURKA
SCHEMBL4977081 0.79 KDR (0.41) KDRLCKSRCCA2AURKA
SCHEMBL4978595 0.74 KDR (0.46) KDRLCKSRCCA2AURKA
SCHEMBL4977079 0.73 KDR (0.42) KDRLCKSRCCA2AURKA
SCHEMBL4978090 0.73 KDR (0.39) KDRLCKSRCCA2AURKA

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-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP claimed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO claimed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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 (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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR KDR 3/4885LCK 427/4885SRC 1766/4885

“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.