SCHEMBL16339089

SCHEMBL16339089

CC(C)n1nc(N2CC(C(=O)O)C2)c2cnc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EGFR P00533 5/20 0.37
▸ NOTUM Q6P988 5/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CHRM4 P08173 2/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ OGFRL1 Q5TC84 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL16340074 0.85 KMT2A (0.40) POLBTDP1L3MBTL1EGFRKDM4E
SCHEMBL16339702 0.81 KDM4E (0.43) L3MBTL1EGFRNOTUMKDM4EALDH1A1
SCHEMBL16374339 0.80 MTOR (0.36) EGFRHRH4
SCHEMBL16339725 0.80 EGFR (0.42) EGFRCHRM4HRH4
SCHEMBL16339091 0.79 EGFR (0.35) EGFRKDM4EKMT2AMEN1ALDH1A1
SCHEMBL22464626 0.78 NOTUM (0.40) EGFRNOTUMKDM4EKMT2AMEN1
SCHEMBL16339483 0.77 MAPK1 (0.34) EGFR
SCHEMBL16339763 0.76 MEN1 (0.35) EGFRKMT2AMEN1KIT
SCHEMBL24824609 0.76 EGFR (0.40) POLBTDP1L3MBTL1EGFRNOTUM
SCHEMBL16339125 0.76 EGFR (0.35) EGFRDGAT2

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 POLB 1954/4885TDP1 2956/4885L3MBTL1 2275/4885

“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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