SCHEMBL4579436

SCHEMBL4579436

COc1cccc(Nc2nccc(N3CCNC(=O)C3c3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.52
FLT4 P35916 3/20 0.52
KDR P35968 3/20 0.52
EGFR P00533 1/20 0.48
PIK3CG P48736 3/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
JAK2 O60674 2/20 0.45
MTOR P42345 1/20 0.45
SMG1 Q96Q15 1/20 0.45
IGF1R P08069 2/20 0.45
ALK Q9UM73 1/20 0.45
CDK8 P49336 2/20 0.44
CCNC P24863 1/20 0.44
MAPK1 P28482 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
IKBKB O14920 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 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
SCHEMBL4580743 0.90 KDR (0.50) FLT1FLT4KDRPIK3CGPIK3CA
SCHEMBL4581040 0.88 KDR (0.51) FLT1FLT4KDREGFRPIK3CG
SCHEMBL4582376 0.87 KDR (0.43) KDREGFRJAK2SMG1ALK
SCHEMBL4580811 0.86 KDR (0.51) FLT1FLT4KDRSMG1IGF1R
SCHEMBL4582327 0.86 HDAC1 (0.47) FLT1FLT4KDRJAK2CDK8
SCHEMBL4580161 0.85 ALK (0.52) EGFRIGF1RALKIKBKBCHUK
SCHEMBL4581942 0.84 IKBKB (0.46) SMG1IGF1RCDK8CCNCCDC7
SCHEMBL4580360 0.84 KDR (0.50) KDREGFRPIK3CGAURKACDK1
SCHEMBL4581069 0.83 ABL1 (0.49) EGFRAURKACDK1CDK2GSK3B
SCHEMBL4580865 0.83 MAPK14 (0.42) KDREGFRJAK2MAPK1PLK4

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-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 FLT1 407/4885FLT4 1739/4885KDR 2020/4885

“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.