SCHEMBL16339442

SCHEMBL16339442

CCS(=O)(=O)n1cc(-c2nccc(C)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.40
▸ TGFBR1 P36897 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDR P35968 1/20 0.33

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
SCHEMBL15742035 0.85 EGFR (0.38) EGFR
SCHEMBL25904079 0.76 EGFR (0.36) EGFR
SCHEMBL13097046 0.74 LRRK2 (0.44) KDR
SCHEMBL30274556 0.74 LRRK2 (0.44) KDR
SCHEMBL15345105 0.71 KDM5B (0.37) TGFBR1
SCHEMBL30911451 0.70 EGFR (0.47) EGFRTGFBR1KDR
SCHEMBL19087083 0.68 NOS1 (0.34) NPSR1
SCHEMBL30616553 0.68 PIK3CD (0.42) EGFR
SCHEMBL31186653 0.66 CYP1A1 (0.46) KDR
SCHEMBL15741966 0.65 EGFR (0.52) EGFR

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-3052494-B1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 — — US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 — — US disclosed
EP-3052494-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2016-08-10 — — EP disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 — — 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 (1 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-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 EGFR 1/4885TGFBR1 1500/4885NPSR1 4448/4885

“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.

Send feedback