SCHEMBL4771490

SCHEMBL4771490

CCOC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CASP1 P29466 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 1/20 0.37
NAMPT P43490 1/20 0.36
CDC7 O00311 3/20 0.36
DBF4 Q9UBU7 3/20 0.36
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK14 Q16539 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4771777 0.87 MME (0.42) CYP2C9CYP3A4ALDH1A1MAPTLMNA
SCHEMBL4768134 0.84 P4HTM (0.35) LMNAPOLB
SCHEMBL4769985 0.81 CA12 (0.41) CYP2C9CYP3A4ALDH1A1MAPTLMNA
SCHEMBL4773802 0.80 L3MBTL1 (0.48) LMNAKMT2APOLBL3MBTL1
SCHEMBL4771629 0.78 L3MBTL1 (0.40) CYP2C9CYP3A4ALDH1A1MAPTLMNA
SCHEMBL4767426 0.78 KMT2A (0.41) CYP3A4ALDH1A1LMNACYP1A2KMT2A
SCHEMBL4764898 0.76 ESR1 (0.42) ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL4764817 0.75 TSPO (0.38) CYP2C9CYP3A4ALDH1A1MAPTLMNA
SCHEMBL28532831 0.73 CYP19A1 (0.49) CASP1MAPTLMNATDP1NAMPT
SCHEMBL5188970 0.73 DPP4 (0.52) CYP2C9CYP3A4CASP1NAMPTKMT2A

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 CYP2C9 2357/4885CYP3A4 2741/4885CASP1 3676/4885

“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.