SCHEMBL4978796

SCHEMBL4978796

COc1cc(CC(=O)Nc2nc3cc(N(C)c4ccnc(N(C)c5ccc(S(C)(=O)=O)cc5)n4)ccc3n2C)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.34
ZAP70 P43403 1/20 0.34
KARS1 Q15046 1/20 0.34
KIT P10721 2/20 0.34
PDGFRA P16234 2/20 0.34
GAA P10253 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADORA2A P29274 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4978332 0.93 ROCK1 (0.42) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978452 0.90 PKM (0.43) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4976246 0.88 GFER (0.38) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4976782 0.87 L3MBTL1 (0.39) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4983378 0.85 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4977096 0.82 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978791 0.82 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978348 0.78 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5226530 0.77 KDR (0.57) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978323 0.76 KDR (0.58) KDR

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 4 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

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 3/4885CYP3A4 3874/4885CYP2D6 3399/4885

“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.