SCHEMBL4580360

SCHEMBL4580360

COc1ccccc1Nc1nccc(N2CCNC(=O)C2c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
EGFR P00533 2/20 0.47
AURKA O14965 2/20 0.44
MAPK8 P45983 3/20 0.44
CAMKK2 Q96RR4 3/20 0.44
PIK3CG P48736 2/20 0.44
GAA P10253 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
DYRK1A Q13627 1/20 0.40
PTK2 Q05397 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
GSK3B P49841 1/20 0.39
CRBN Q96SW2 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4580953 0.87 KDR (0.48) KDRCCNB2CDK1CCNB1CCNB3
SCHEMBL4581286 0.86 IDH1 (0.41) KDRGAAHTT
SCHEMBL4580161 0.86 ALK (0.52) EGFR
SCHEMBL4580805 0.85 MAPK8 (0.42) KDRAURKAMAPK8CCNB2CDK1
SCHEMBL4580743 0.85 KDR (0.50) KDRPIK3CGPTK2GSK3BLMNA
SCHEMBL4579436 0.84 FLT1 (0.52) KDREGFRAURKAMAPK8PIK3CG
SCHEMBL4582376 0.84 KDR (0.43) KDREGFRAURKACDK1KIT
SCHEMBL4580865 0.81 MAPK14 (0.42) KDREGFRMAPK8GSK3BLMNA
SCHEMBL4581037 0.80 MKNK1 (0.48)
SCHEMBL4580382 0.79 ALDH1A1 (0.45) GAALMNARAB9A

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 KDR 2020/4885EGFR 1549/4885AURKA 855/4885

“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.