SCHEMBL1683387

SCHEMBL1683387

Cc1c(OCCNC(=O)OC(C)(C)C)cn2ncnc(Oc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.43
▸ MET P08581 14/20 0.43
▸ KDR P35968 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL1683396 0.80 KDR (0.65) SCN9AMETKDRCYP3A4
SCHEMBL1683401 0.80 SCN9A (0.40) SCN9AMETKDRCYP3A4CA12
SCHEMBL1226469 0.75 KDR (0.61) METKDRCYP3A4
SCHEMBL17675706 0.72 CA12 (0.67) CA12CA1CA2CA9
SCHEMBL1227475 0.72 KDR (0.63) METKDRCYP3A4MAP2K1
SCHEMBL4045888 0.71 KDR (0.65) KDRMAP2K1
SCHEMBL1227728 0.70 KDR (0.53) METKDRCYP3A4MAP2K1
SCHEMBL4459617 0.69 CA12 (0.65) CA12CA1CA2CA9
SCHEMBL15869790 0.69 ALDH1A1 (0.55) SCN9ACYP3A4CA12CA1CA2
SCHEMBL24920672 0.69 CA12 (0.67) CA12CA1CA2CA9

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 SCN9A 4133/4885MET 96/4885KDR 5/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 SCN9A 4104/4885MET 81/4885KDR 5/4885

“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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