SCHEMBL16339123

SCHEMBL16339123

C=C(CCC(=O)OCC)c1nn(C(C)C)c2cc(Cl)ncc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ RAB9A P51151 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ TNF P01375 4/20 0.31
▸ PDE4D Q08499 3/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL16374392 0.80 PDE4D (0.30) PDE4D
SCHEMBL16339905 0.76 EGFR (0.35) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL30645341 0.75 EGFR (0.39) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL16339294 0.75 EGFR (0.39) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL16340074 0.72 KMT2A (0.40) KDM4EALDH1A1HPGDHTTRAB9A
SCHEMBL16339171 0.65 — —
SCHEMBL16339318 0.65 — —
SCHEMBL15635699 0.62 ELANE (0.62) ELANE
SCHEMBL16339416 0.62 PRKDC (0.34) KDM4EALDH1A1POLBELANE
SCHEMBL16339089 0.62 POLB (0.38) KDM4EALDH1A1POLBEGFRKMT2A

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 10 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
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
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 KDM4E 1782/4885ALDH1A1 3405/4885HPGD 3904/4885

“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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