SCHEMBL1683451

SCHEMBL1683451

Cc1noc(-c2cn3ncnc(Cl)c3c2C(C)C)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.57
FGFR1 P11362 9/20 0.49
FLT1 P17948 7/20 0.49
FGFR2 P21802 6/20 0.49
FGFR4 P22455 6/20 0.49
FGFR3 P22607 6/20 0.49
FLT4 P35916 6/20 0.49
CYP3A4 P08684 3/20 0.42
KCNH2 Q12809 1/20 0.42
LCK P06239 3/20 0.39
ERBB2 P04626 2/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRK1 P41145 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL1683404 0.79 KDR (0.54) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL5605832 0.79 KDR (0.49) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683444 0.75 KDR (0.50) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL5598276 0.72 KDR (0.69) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683390 0.71 KDR (0.78) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683413 0.70 KDR (1.00) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683395 0.69 KDR (0.67) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL5606261 0.66 KDR (0.51) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL30834041 0.66 ACHE (0.38) CYP3A4CYP1A2OPRK1
SCHEMBL29142572 0.66 ACHE (0.38) CYP3A4CYP1A2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-1539763-A4 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-01 EP disclosed
US-20060058304-A1 Azaindole kinase inhibitors BHIDE RAJEEV S 2006-03-16 US disclosed
US-6969717-B2 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-29 US disclosed
EP-1539763-A1 AZAINDOLE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040063707-A1 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004009601-A1 AZAINDOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO 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 (2 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-20040063707-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDR 5/4885FGFR1 1/4885FLT1 3/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDR 5/4885FGFR1 1/4885FLT1 3/4885

“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.