SCHEMBL1683402

SCHEMBL1683402

CCOC(=O)c1cn2ncnc(Oc3cnc4[nH]c(C)cc4c3)c2c1C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.64
▸ MAP2K1 Q02750 4/20 0.48
▸ EGFR P00533 4/20 0.43
▸ ERBB2 P04626 4/20 0.43
▸ MAPK14 Q16539 1/20 0.43

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
SCHEMBL1683385 0.86 KDR (0.76) KDRMAP2K1EGFRERBB2MAPK14
SCHEMBL1683484 0.78 KDR (1.00) KDREGFR
SCHEMBL1683487 0.78 KDR (1.00) KDREGFR
SCHEMBL1226861 0.77 KDR (1.00) KDREGFRMAPK14
SCHEMBL1227820 0.76 KDR (0.60) KDRMAP2K1EGFRERBB2MAPK14
SCHEMBL1226328 0.75 KDR (0.83) KDREGFR
SCHEMBL1226906 0.73 KDR (0.82) KDREGFR
SCHEMBL1683434 0.73 KDR (0.66) KDRMAP2K1EGFRERBB2MAPK14
SCHEMBL16716631 0.71 MAP2K1 (0.56) KDRMAP2K1EGFRERBB2MAPK14
SCHEMBL4819671 0.70 KDR (0.57) KDRMAP2K1EGFRERBB2MAPK14

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 4 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
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 5/4885MAP2K1 633/4885EGFR 43/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDR 5/4885MAP2K1 570/4885EGFR 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.

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