SCHEMBL4982995

SCHEMBL4982995

Cc1cccc2c1nc(N)n2N(C)c1ccnc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.53
PDGFRB P09619 2/20 0.53
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3C2G O75747 1/20 0.45
PIK3CG P48736 1/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 5/20 0.45
KDR P35968 5/20 0.45
PDE5A O76074 5/20 0.44
MTOR P42345 1/20 0.43
SMG1 Q96Q15 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 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
SCHEMBL4978786 0.91 CDK2 (0.44) SRCPDGFRBJAK2JAK3CYP3A4
SCHEMBL4982990 0.89 SRC (0.50) SRCPDGFRBJAK2JAK3PIK3CD
SCHEMBL4978524 0.83 PDGFRB (0.44) SRCPDGFRBJAK2JAK3PIK3CD
SCHEMBL4980507 0.83 MEN1 (0.46) SRCPDGFRBJAK2JAK3PIK3CD
SCHEMBL4977047 0.81 POLB (0.47) SRCPDGFRBJAK2JAK3PDE5A
SCHEMBL4978780 0.81 CDK1 (0.43) SRCPDGFRBJAK2JAK3CYP3A4
SCHEMBL4975092 0.80 PDGFRB (0.41) SRCPDGFRBJAK2JAK3PIK3CD
SCHEMBL4976793 0.80 KDR (0.51) SRCPDGFRBJAK2JAK3CYP3A4
SCHEMBL4976831 0.76 ALDH1A1 (0.45) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL4978583 0.76 TSHR (0.45) CCNT1CDK1CCNB1CCNA2CDK2

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 8 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
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US 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 SRC 1766/4885PDGFRB 6/4885JAK2 64/4885

“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.