SCHEMBL4771563

SCHEMBL4771563

COC(=O)C(Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.49
BTK Q06187 6/20 0.49
JAK3 P52333 3/20 0.48
ITK Q08881 4/20 0.48
CDK4 P11802 1/20 0.46
CDK2 P24941 1/20 0.46
AURKA O14965 3/20 0.45
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 2/20 0.42
GSK3A P49840 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL4764831 0.90 EGFR (0.51) EGFRBTKJAK3ITKCDK4
SCHEMBL4771570 0.90 MAPK8 (0.50) EGFRBTKJAK3ITKCDK4
SCHEMBL4769925 0.87 AURKA (0.48) EGFRBTKJAK3ITKCDK4
SCHEMBL4771576 0.85 EGFR (0.47) EGFRBTKJAK3ITKCDK4
SCHEMBL4767481 0.85 PTK2 (0.49) EGFRBTKJAK3ITKCDK4
SCHEMBL4765135 0.82 JAK2 (0.46) EGFRBTKJAK3ITKCDK4
SCHEMBL4764815 0.82 CHEK1 (0.49) EGFRBTKJAK3ITKCDK4
SCHEMBL4773873 0.82 MAPK8 (0.51) EGFRBTKJAK3ITKCDK4
SCHEMBL4765299 0.82 SYK (0.49) EGFRBTKJAK3ITKCDK4
SCHEMBL4825515 0.80 MAPK8 (0.48) EGFRBTKJAK3ITKCDK4

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 10 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
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 EGFR 49/4885BTK 840/4885JAK3 496/4885

“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.