SCHEMBL5767331

SCHEMBL5767331

COc1ccc(N2Cc3cnc(Nc4ccccc4)nc3N(C3CCCNC3)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.72
FGFR4 P22455 10/20 0.72
FGFR1 P11362 5/20 0.72
FGFR2 P21802 5/20 0.72
FGFR3 P22607 5/20 0.72
PDGFRB P09619 3/20 0.72
PDGFRA P16234 3/20 0.72
KDR P35968 3/20 0.72
FYN P06241 2/20 0.72
MAPK1 P28482 2/20 0.72
EPHB3 P54753 2/20 0.72
PRKACA P17612 1/20 0.61
PRKACG P22612 1/20 0.61
PRKACB P22694 1/20 0.61
CSF1R P07333 2/20 0.49
MAPK9 P45984 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5772117 0.95 EGFR (0.74) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5772112 0.95 EGFR (0.74) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5768936 0.91 FGFR4 (0.80) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5770073 0.90 EGFR (0.76) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5770003 0.90 FGFR4 (0.79) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5745949 0.85 EGFR (0.72) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5831546 0.85 EGFR (0.90) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5767242 0.85 EGFR (0.76) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5767065 0.85 EGFR (0.90) EGFRFGFR4FGFR1FGFR2FGFR3
SCHEMBL5767330 0.85 EGFR (0.73) EGFRFGFR4FGFR1FGFR2FGFR3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US claimed
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP claimed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO claimed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 US claimed
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 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-20040204427-A1 Pyrimido compounds having antiproliferative activity FGFR3, FGFR1, FGFR4 EGFR 41/4885FGFR4 3/4885FGFR1 2/4885

“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.