SCHEMBL15938563

SCHEMBL15938563

CCN(C(C)=O)c1ccc(N)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
AOX1 Q06278 1/20 0.44
PDE3A Q14432 1/20 0.44
PGR P06401 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAPK3 P27361 1/20 0.37
ALDH1A1 P00352 6/20 0.35
S100B P04271 1/20 0.35

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
SCHEMBL29331645 0.78 S100B (0.58) KDM4EMAPK1SMN1; SMN2TSHRCYP3A4
SCHEMBL9135996 0.75 TDP1 (0.44) PGRSMN1; SMN2TSHRCYP3A4ALDH1A1
SCHEMBL15938784 0.75 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP3A4MAPK3ALDH1A1
SCHEMBL4305897 0.74 PGR (0.64) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL14116544 0.74 SMN1; SMN2 (0.41) PGRSMN1; SMN2TSHRCYP3A4ALDH1A1
SCHEMBL15938076 0.73 AR (0.41) KDM4ESMN1; SMN2MAPK3ALDH1A1S100B
SCHEMBL4498006 0.73 PDGFRB (0.38) KDM4EMAPK1PGRTSHRCYP3A4
SCHEMBL5036230 0.73 KDM4E (0.51) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL30340304 0.72 MEN1 (0.36) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL13979471 0.72 ALDH1A1 (0.41) KDM4EMAPK1GABRA1GABRG2GABRB3

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 13 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
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 KDM4E 1412/4885MAPK1 8/4885GABRA1 4133/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 KDM4E 3344/4885MAPK1 1/4885GABRA1 3759/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 KDM4E 1412/4885MAPK1 8/4885GABRA1 4133/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 KDM4E 1412/4885MAPK1 8/4885GABRA1 4133/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 KDM4E 1412/4885MAPK1 8/4885GABRA1 4133/4885

“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.