SCHEMBL4978780

SCHEMBL4978780

Cc1cccc2c1nc(C(N)=O)n2N(C)c1ccnc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
CCNT1 O60563 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
KDR P35968 4/20 0.41
SRC P12931 2/20 0.41

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
SCHEMBL4982990 0.92 SRC (0.50) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL4978786 0.89 CDK2 (0.44) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL4978583 0.84 TSHR (0.45) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL4976831 0.83 ALDH1A1 (0.45) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL4977164 0.82 ALDH1A1 (0.51) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL4978337 0.82 L3MBTL1 (0.48) POLBPKMMEN1KMT2AALDH1A1
SCHEMBL4980634 0.81 POLB (0.43) POLBPKMMEN1KMT2AATM
SCHEMBL4982995 0.81 SRC (0.53) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL4976787 0.81 KDR (0.49) CDK7JAK2JAK3KDRSRC
SCHEMBL4980507 0.77 MEN1 (0.46) CDK1CDK2CCNT1CCNB1CCNA2

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 6 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
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 CDK1 179/4885CDK2 18/4885CCNT1 813/4885

“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.