SCHEMBL4764815

SCHEMBL4764815

COC(=O)C(Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
NTRK2 Q16620 1/20 0.49
AURKA O14965 5/20 0.46
SYK P43405 4/20 0.46
BTK Q06187 2/20 0.45
MAPK9 P45984 2/20 0.45
NPY5R Q15761 1/20 0.45
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK8 P45983 1/20 0.45
EGFR P00533 3/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PTK2 Q05397 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
JAK3 P52333 1/20 0.43
ITK Q08881 1/20 0.43
CNR2 P34972 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
SCHEMBL4774864 0.93 CHEK1 (0.50) CHEK1NTRK2AURKASYKBTK
SCHEMBL4766654 0.93 CHEK1 (0.46) CHEK1NTRK2AURKASYKBTK
SCHEMBL4769925 0.93 AURKA (0.48) NTRK2AURKASYKBTKMAPK9
SCHEMBL4765299 0.91 SYK (0.49) CHEK1NTRK2AURKASYKBTK
SCHEMBL4771576 0.91 EGFR (0.47) NTRK2AURKASYKBTKMAPK9
SCHEMBL4767407 0.91 CHEK1 (0.43) CHEK1NTRK2AURKASYKBTK
SCHEMBL4769944 0.89 MAPK9 (0.44) CHEK1NTRK2AURKASYKBTK
SCHEMBL4767501 0.89 SMN1; SMN2 (0.42) SYKMAPK9MAPK10
SCHEMBL4770029 0.88 SYK (0.44) CHEK1NTRK2SYKBTKMAPK9
SCHEMBL4771624 0.86 CHEK1 (0.46) CHEK1NTRK2AURKASYKBTK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP claimed
US-7098332-B2 5,8-Dihydro-6H-pyrido[2,3-d]pyrimidin-7-ones HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US claimed
EP-1581531-A1 PYRIDINO[2,3-D]PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS F. Hoffmann-La Roche AG (CH) 2005-10-05 EP claimed
WO-2004056822-A1 PYRIDINO `2, 3-D! PYRIMIDINE DERIVATIVES AS SELECTIVE KDR AND FGFR INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-08 WO claimed
US-20040122029-A1 Novel dihydropyridinone compounds LIU JIN-JUN (US) 2004-06-24 US claimed
EP-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
EP-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-7098332-B2 5,8-Dihydro-6H-pyrido[2,3-d]pyrimidin-7-ones HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
EP-1581531-A1 PYRIDINO[2,3-D]PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS F. Hoffmann-La Roche AG (CH) 2005-10-05 EP disclosed
WO-2004056822-A1 PYRIDINO `2, 3-D! PYRIMIDINE DERIVATIVES AS SELECTIVE KDR AND FGFR INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-08 WO disclosed
US-20040122029-A1 Novel dihydropyridinone compounds LIU JIN-JUN (US) 2004-06-24 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-20040122029-A1 Novel dihydropyridinone compounds FGFR1, FGFR3, FGFR4 CHEK1 235/4885NTRK2 581/4885AURKA 141/4885

“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.