SCHEMBL4769944

SCHEMBL4769944

COC(=O)C(Cc1cnc(Nc2ccccc2)nc1Cl)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
CNR2 P34972 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK1 O14757 1/20 0.41
NTRK2 Q16620 1/20 0.41
USP2 O75604 2/20 0.41
CYP2C9 P11712 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
TSHR P16473 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL4770076 0.93 MAPK9 (0.45) MAPK9MAPK10MAOAMAOBCNR2
SCHEMBL4764815 0.89 CHEK1 (0.49) MAPK9MAPK10MAOAMAOBCNR2
SCHEMBL4767501 0.84 SMN1; SMN2 (0.42) MAPK9MAPK10ALDH1A1MEN1KMT2A
SCHEMBL4767407 0.84 CHEK1 (0.43) MAPK9MAPK10MAOAMAOBCNR2
SCHEMBL4764898 0.83 ESR1 (0.42) CNR2ALDH1A1MEN1KMT2A
SCHEMBL4766654 0.82 CHEK1 (0.46) MAPK9MAPK10CHEK1NTRK2HDAC1
SCHEMBL4770029 0.82 SYK (0.44) MAPK9MAPK10MAOAMAOBCNR2
SCHEMBL4774864 0.82 CHEK1 (0.50) MAPK9MAPK10CNR2CYP1A2CYP3A4
SCHEMBL4769925 0.81 AURKA (0.48) MAPK9NTRK2GSK3AGSK3BCDK1
SCHEMBL4765299 0.80 SYK (0.49) MAPK9CHEK1NTRK2HDAC1CDK4

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 MAPK9 536/4885MAPK10 1141/4885MAOA 3592/4885

“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.