SCHEMBL1683503

SCHEMBL1683503

Cc1nnc(-c2cn3nc[nH]c(=O)c3c2C(C)C)o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
KDR P35968 17/20 0.48
FGFR1 P11362 9/20 0.48
LCK P06239 3/20 0.48
ERBB2 P04626 2/20 0.48
EGFR P00533 1/20 0.48
PDGFRB P09619 1/20 0.48
FLT1 P17948 8/20 0.46
CYP3A4 P08684 3/20 0.46
KCNH2 Q12809 1/20 0.46
FGFR2 P21802 7/20 0.42
FGFR4 P22455 7/20 0.42
FGFR3 P22607 7/20 0.42
FLT4 P35916 7/20 0.42
ROCK1 Q13464 1/20 0.37
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL1683444 0.80 KDR (0.50) NR1H2KDRFGFR1LCKERBB2
SCHEMBL1683404 0.74 KDR (0.54) KDRFGFR1LCKERBB2EGFR
SCHEMBL4817943 0.71 NR1H2 (0.69) NR1H2KDRROCK1
SCHEMBL5596556 0.71 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL5606208 0.70 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL17324743 0.70 NR1H2 (0.70) NR1H2KDRROCK1
SCHEMBL17321388 0.68 NR1H2 (0.67) NR1H2KDRCYP3A4ROCK1
SCHEMBL5606354 0.68 NR1H2 (0.64) NR1H2KDRROCK1TLR8TLR7
SCHEMBL5606433 0.66 NR1H2 (0.65) NR1H2KDRROCK1TLR8TLR7
SCHEMBL1683479 0.66 NR1H2 (0.76) NR1H2KDRROCK1

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