SCHEMBL15939166

SCHEMBL15939166

CNC(=O)c1cc(N)c(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CFTR P13569 2/20 0.38
CYP1A2 P05177 2/20 0.37
HDAC1 Q13547 7/20 0.36
BRAF P15056 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC6 Q9UBN7 4/20 0.35
IKBKB O14920 1/20 0.35
MAPK3 P27361 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL23948693 0.93 GAA (0.46) GAACFTRCYP1A2HDAC1BRAF
SCHEMBL29501882 0.93 GAA (0.46) GAACFTRCYP1A2HDAC1BRAF
SCHEMBL31080125 0.86 GAA (0.46) GAACFTRCYP1A2HDAC1BRAF
SCHEMBL31546938 0.86 KDM4E (0.43) GAACYP1A2HDAC1MAPK1CYP3A4
SCHEMBL23243142 0.86 GAA (0.46) GAACFTRCYP1A2HDAC1BRAF
SCHEMBL2868028 0.85 GAA (0.48) GAACFTRHDAC1BRAFALOX5AP
SCHEMBL12506962 0.83 GAA (0.50) GAAHDAC1HDAC6MAPK3
SCHEMBL22468518 0.82 GAA (0.46) GAACYP1A2HDAC1MAPTHDAC6
SCHEMBL13575596 0.81 GAA (0.48) GAACFTRHDAC1BRAFALOX5AP
SCHEMBL29502073 0.81 GAA (0.35) GAACYP1A2HDAC1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
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
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO 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
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 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 (7 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 GAA 3334/4885CFTR 2827/4885CYP1A2 3896/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 GAA 2716/4885CFTR 3640/4885CYP1A2 3993/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB GAA 2745/4885CFTR 1730/4885CYP1A2 2627/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG GAA 2457/4885CFTR 1762/4885CYP1A2 2555/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GAA 3334/4885CFTR 2827/4885CYP1A2 3896/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GAA 3334/4885CFTR 2827/4885CYP1A2 3896/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GAA 3334/4885CFTR 2827/4885CYP1A2 3896/4885

“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.