SCHEMBL4978452

SCHEMBL4978452

COc1ccc(CC(=O)Nc2nc3cc(N(C)c4ccnc(N(C)c5ccc(S(C)(=O)=O)cc5)n4)ccc3n2C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ROCK2 O75116 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KDR P35968 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
ALPL P05186 1/20 0.37
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL4978796 0.90 KDR (0.38) PKMROCK2ALDH1A1KDRCYP3A4
SCHEMBL4978332 0.89 ROCK1 (0.42) ROCK2KMT2ALMNAKDRCYP3A4
SCHEMBL4976246 0.88 GFER (0.38) PKMROCK2SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4976782 0.88 L3MBTL1 (0.39) PKMKMT2ALMNAKDRCYP3A4
SCHEMBL4983378 0.87 KDR (0.40) PKMSMN1; SMN2ALDH1A1KDRCYP3A4
SCHEMBL4978445 0.83 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4977096 0.82 KDR (0.40) ROCK2KMT2AALDH1A1KDRCYP3A4
SCHEMBL6637801 0.80 KDR (0.38) PKMALDH1A1KDRCYP3A4CYP2D6
SCHEMBL4978348 0.78 KDR (0.40) ROCK2KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5223878 0.77 KDR (0.41) PKMKDRCYP3A4CYP2D6CYP2C9

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 PKM 1616/4885ROCK2 721/4885KMT2A 366/4885

“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.