SCHEMBL3654697

SCHEMBL3654697

CCN(C(=O)OC(C)(C)C)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CPB2 Q96IY4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 2/20 0.35
FFAR2 O15552 1/20 0.35
METAP1 P53582 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
F2 P00734 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GSTO1 P78417 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
SCHEMBL6982226 0.86 TRPM8 (0.37) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL4840789 0.85 PKM (0.40) TRPM8GAATSHRALDH1A1MEN1
SCHEMBL19861616 0.84 TRPM8 (0.35) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL8091312 0.81 ALDH1A1 (0.38) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL1585657 0.80 FFAR2 (0.43) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL15740655 0.79 TRPM8 (0.36) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL18764698 0.79 ALDH1A1 (0.41) TRPM8GAATSHRALDH1A1MEN1
SCHEMBL27567713 0.79 METAP1 (0.36) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL19015200 0.79 TRPM8 (0.33) TRPM8GAATSHRCPB2ALDH1A1
SCHEMBL21505859 0.79 SCN1A (0.53) TRPM8GAATSHRALDH1A1MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
US-20170137410-A1 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF MEDIVATION TECHNOLOGIES, INC (US) 2017-05-18 US disclosed
EP-2842955-B1 TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO (JP) 2016-10-05 EP disclosed
US-9242977-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2016-01-26 US disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
WO-2016003827-A2 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-01-07 WO disclosed
EP-2922851-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2015-09-30 EP disclosed
US-20150111865-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-23 US disclosed
EP-2842955-A1 Trk-INHIBITING COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2015-03-04 EP disclosed
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 WO disclosed
EP-2211862-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050228-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES NOVARTIS AG (CH) 2009-04-23 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 (3 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-20170137410-A1 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, DTYMK, TK1 TRPM8 2638/4885GAA 1192/4885TSHR 4034/4885
US-20150111865-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TEC TRPM8 265/4885GAA 2302/4885TSHR 1799/4885
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 TRPM8 3943/4885GAA 2393/4885TSHR 2858/4885

“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.