SCHEMBL4764898

SCHEMBL4764898

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.38
ROCK2 O75116 1/20 0.38
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR3 P29371 1/20 0.36
CCKAR P32238 2/20 0.36
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1H O95180 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4773802 0.89 L3MBTL1 (0.48) ESR1ESR2LDHALDHBL3MBTL1
SCHEMBL4764854 0.89 CCKAR (0.45) LDHALDHBL3MBTL1CCKAR
SCHEMBL4770069 0.88 ATF1 (0.41) ESR1ESR2RAB9AKMT2AALDH1A1
SCHEMBL4767426 0.88 KMT2A (0.41) ESR1ESR2LDHALDHBL3MBTL1
SCHEMBL4767501 0.83 SMN1; SMN2 (0.42) LDHALDHBRAB9AMEN1KMT2A
SCHEMBL4769944 0.83 MAPK9 (0.44) CNR2MEN1KMT2AALDH1A1
SCHEMBL4764829 0.80 PIN1 (0.38) L3MBTL1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4766678 0.80 ALDH1A1 (0.34) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL4769616 0.78 NFKB1 (0.46) SMN1; SMN2
SCHEMBL4773796 0.78 CTSA (0.39) L3MBTL1ROCK2

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 ESR1 1023/4885ESR2 813/4885LDHA 2064/4885

“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.