SCHEMBL16374339

SCHEMBL16374339

CC(C)n1nc(N2CC3CCC(C2)O3)c2cnc(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ EGFR P00533 5/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ HRH4 Q9H3N8 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ CDK2 P24941 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAP3K7 O43318 1/20 0.30

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
SCHEMBL16339089 0.80 POLB (0.38) EGFRHRH4
SCHEMBL16339091 0.80 EGFR (0.35) EGFRCDK2KDR
SCHEMBL16339836 0.79 EGFR (0.45) MTORPIK3CAEGFR
SCHEMBL16339803 0.78 JAK3 (0.32) EGFRCDK2KDR
SCHEMBL16339354 0.77 EGFR (0.34) EGFRMAPK1CDK2KDR
SCHEMBL16339352 0.77 EGFR (0.34) EGFRMAPK1CDK2KDR
SCHEMBL16339462 0.77 PRKCA (0.38) HRH4
SCHEMBL16339059 0.76 CHRM4 (0.40) EGFRSOS1
SCHEMBL16339511 0.76 EGFR (0.38) EGFR
SCHEMBL16339509 0.76 EGFR (0.38) 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 8 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-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 — — US 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
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 — — US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 — — US 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 MTOR 396/4885PIK3CA 22/4885EGFR 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.

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