SCHEMBL1683398

SCHEMBL1683398

CC(O)COc1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
FGFR1 P11362 2/20 0.61
EGFR P00533 2/20 0.61
ERBB2 P04626 2/20 0.61
LCK P06239 1/20 0.61
PDGFRB P09619 1/20 0.61
CYP3A4 P08684 2/20 0.46
FLT1 P17948 1/20 0.46
KCNH2 Q12809 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
SCHEMBL12808319 1.00 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683464 0.91 KDR (0.84) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683459 0.91 KDR (0.84) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683433 0.86 KDR (0.76) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683431 0.82 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL26928560 0.76 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683420 0.71 KDR (0.72) KDRFGFR1EGFRLCKPDGFRB
SCHEMBL1683425 0.71 KDR (0.72) KDRFGFR1EGFRLCKPDGFRB
SCHEMBL1683443 0.67 KDR (0.61) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683428 0.67 KDR (0.51) KDRFGFR1EGFRERBB2LCK

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 5 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 claimed
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 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
US-20040063707-A1 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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 (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 1/4885EGFR 43/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDR 5/4885FGFR1 1/4885EGFR 41/4885

“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.