SCHEMBL15938701

SCHEMBL15938701

C=CC(=O)Nc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.58
HDAC2 Q92769 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGS1 P23219 2/20 0.46
GSTO1 P78417 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CFTR P13569 1/20 0.43
TEAD1 P28347 3/20 0.41
MAPK3 P27361 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDR P35968 2/20 0.40
TEK Q02763 1/20 0.40
EPHB4 P54760 1/20 0.40

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
SCHEMBL24225035 0.82 TGM2 (0.58) TGM2MEN1KMT2AGSTO1KDM4E
SCHEMBL16060503 0.81 HDAC2 (0.57) HDAC2MEN1KMT2APTGS1ALDH1A1
SCHEMBL17524754 0.81 TGM2 (0.56) TGM2MEN1KMT2AGSTO1ALDH1A1
SCHEMBL30832968 0.80 CYP1A2 (0.58) HDAC2MEN1KMT2APTGS1ALDH1A1
SCHEMBL20774146 0.80 CYP1A2 (0.58) HDAC2MEN1KMT2APTGS1ALDH1A1
SCHEMBL15938387 0.80 TGM2 (0.54) TGM2HDAC2ALDH1A1MAPK3CYP2C19
SCHEMBL15941656 0.78 GAA (0.48) TGM2KMT2AALDH1A1KDM4ETEAD1
SCHEMBL28549394 0.77 CFTR (0.56) TGM2MEN1KMT2AGSTO1ALDH1A1
SCHEMBL18897398 0.77 TGM2 (0.52) TGM2MEN1KMT2AGSTO1ALDH1A1
SCHEMBL15938273 0.76 MEN1 (0.43) TGM2HDAC2MEN1KMT2AGSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
CN-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 CN disclosed
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 EP disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 WO disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US 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 (5 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885HDAC2 976/4885MEN1 2133/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 TGM2 2577/4885HDAC2 1219/4885MEN1 1944/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885HDAC2 976/4885MEN1 2133/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885HDAC2 976/4885MEN1 2133/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885HDAC2 976/4885MEN1 2133/4885

“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.