SCHEMBL1683444

SCHEMBL1683444

Cc1noc(-c2cn3nc[nH]c(=O)c3c2C(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
NR1H2 P55055 1/20 0.48
FGFR1 P11362 3/20 0.43
FLT1 P17948 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
FLT4 P35916 1/20 0.43
ROCK1 Q13464 1/20 0.37
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LCK P06239 1/20 0.35
PDGFRB P09619 1/20 0.35
PLAT P00750 1/20 0.34
ELANE P08246 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
SCHEMBL1683503 0.80 NR1H2 (0.49) KDRNR1H2FGFR1FLT1FGFR2
SCHEMBL1683451 0.75 KDR (0.57) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL4817943 0.70 NR1H2 (0.69) KDRNR1H2ROCK1
SCHEMBL5596556 0.70 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL5606208 0.69 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL17324743 0.69 NR1H2 (0.70) KDRNR1H2ROCK1
SCHEMBL5606124 0.68 NR1H2 (0.52) NR1H2ROCK1
SCHEMBL5606354 0.67 NR1H2 (0.64) KDRNR1H2ROCK1
SCHEMBL17321388 0.67 NR1H2 (0.67) KDRNR1H2ROCK1CYP3A4
SCHEMBL5606433 0.65 NR1H2 (0.65) KDRNR1H2ROCK1

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 5/4885NR1H2 3426/4885FGFR1 1/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDR 5/4885NR1H2 3417/4885FGFR1 1/4885

“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.