SCHEMBL16374302

SCHEMBL16374302

CCC(C)n1nc(NCCN)c2cnc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.32
▸ IKBKB O14920 2/20 0.32
▸ CHUK O15111 2/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ RPS6KA4 O75676 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ CDK11B P21127 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ CDK16 Q00536 1/20 0.32
▸ MAPK7 Q13164 1/20 0.32
▸ CDK13 Q14004 1/20 0.32

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
SCHEMBL16374309 0.82 KDM4C (0.35) KDM4C
SCHEMBL16374237 0.76 MAP4K1 (0.30) —
SCHEMBL16374239 0.76 MAP4K1 (0.30) —
SCHEMBL16339681 0.76 MAP4K1 (0.30) —
SCHEMBL18040957 0.76 — —
SCHEMBL20078182 0.68 EGFR (0.38) CYP1A2CYP2D6
SCHEMBL16374283 0.68 EGFR (0.38) CYP1A2CYP2D6
SCHEMBL20078167 0.68 EGFR (0.38) CYP1A2CYP2D6
SCHEMBL16374306 0.68 POLB (0.36) —
SCHEMBL25461863 0.67 ADORA2A (0.33) —

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
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
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 CYP1A2 2628/4885CYP2D6 2687/4885KDM4C 2337/4885

“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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