SCHEMBL4767501

SCHEMBL4767501

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 3/20 0.40
PIN1 Q13526 2/20 0.40
HTT P42858 3/20 0.39
NPC1 O15118 1/20 0.39
CNR1 P21554 1/20 0.39
TACR3 P29371 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL4775312 0.93 GAA (0.43) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL4764815 0.89 CHEK1 (0.49) MAPK9MAPK10SYK
SCHEMBL4769944 0.84 MAPK9 (0.44) MEN1KMT2AALDH1A1CNR1MAPK9
SCHEMBL4764898 0.83 ESR1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL4766654 0.82 CHEK1 (0.46) MAPK9MAPK10SYK
SCHEMBL4774864 0.82 CHEK1 (0.50) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL4769925 0.81 AURKA (0.48) MAPK9SYK
SCHEMBL4767407 0.80 CHEK1 (0.43) MEN1KMT2AALDH1A1MAPK9MAPK10
SCHEMBL4765299 0.80 SYK (0.49) MAPK9SYK
SCHEMBL4771576 0.80 EGFR (0.47) MAPK9SYK

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 SMN1; SMN2 2525/4885GAA 3016/4885MAPT 3432/4885

“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.