SCHEMBL15938751

SCHEMBL15938751

N#Cc1ccc(C(N)=O)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MYC P01106 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LCK P06239 1/20 0.40
CHUK O15111 1/20 0.40
TNKS O95271 1/20 0.40
PARP14 Q460N5 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP1 P09874 6/20 0.38
TSHR P16473 1/20 0.38
NNMT P40261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNA2 P20248 1/20 0.36

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
SCHEMBL5070811 0.86 MAPT (0.47) ALDH1A1HSD17B10MAPTTDP1SMN1; SMN2
SCHEMBL6775695 0.86 MYC (0.55) PARP15PARP10PARP2CYP11B2MYC
SCHEMBL6816025 0.85 PARP15 (0.43) PARP15PARP10PARP2CYP11B2KDM4E
SCHEMBL2858854 0.85 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10MAPTTDP1
SCHEMBL2973768 0.84 PARP15 (0.46) PARP15PARP10PARP2CYP11B2ALDH1A1
SCHEMBL13181810 0.81 ALDH1A1 (0.41) PARP15PARP10PARP2KDM4EALDH1A1
SCHEMBL2962878 0.79 S1PR3 (0.52) PARP15PARP10PARP2CYP11B2MYC
SCHEMBL7155625 0.79 PARP1 (0.45) PARP15PARP10PARP2CYP11B2MYC
SCHEMBL2767509 0.79 S1PR3 (0.50) PARP15PARP10PARP2CYP11B2PARP1
SCHEMBL15464961 0.79 CYP11B2 (0.60) PARP15PARP10PARP2CYP11B2PARP1

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 PARP15 710/4885PARP10 946/4885PARP2 1284/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 PARP15 1805/4885PARP10 1786/4885PARP2 2066/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PARP15 710/4885PARP10 946/4885PARP2 1284/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PARP15 710/4885PARP10 946/4885PARP2 1284/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PARP15 710/4885PARP10 946/4885PARP2 1284/4885

“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.