SCHEMBL15938003

SCHEMBL15938003

Cc1ccc(C(=O)NOCCO)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC3 O15379 6/20 0.50
HDAC4 P56524 6/20 0.50
HDAC1 Q13547 6/20 0.50
HDAC7 Q8WUI4 6/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC10 Q969S8 6/20 0.50
HDAC11 Q96DB2 6/20 0.50
HDAC8 Q9BY41 6/20 0.50
HDAC6 Q9UBN7 6/20 0.50
HDAC9 Q9UKV0 6/20 0.50
HDAC5 Q9UQL6 6/20 0.50
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ACSS2 Q9NR19 1/20 0.42
MAPK3 P27361 2/20 0.41
PTGER4 P35408 3/20 0.40
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL15938270 0.82 ALDH1A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9704727 0.80 KMT2A (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL649380 0.79 MAPT (0.61) MAPTTDP1HDAC3HDAC4HDAC1
SCHEMBL4809042 0.79 MAPT (0.66) MAPTTDP1HDAC1HDAC6
SCHEMBL15939219 0.78 MAPK3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1416999 0.78 MAPT (0.59) MAPTTDP1HDAC3HDAC4HDAC1
SCHEMBL9445567 0.77 HDAC8 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10634169 0.76 MAPT (0.61) MAPTTDP1HDAC3KMT2A
SCHEMBL6672999 0.75 MAPT (0.66) MAPTTDP1HDAC1HDAC2HDAC8
SCHEMBL2297552 0.75 TDP1 (0.66) MAPTTDP1HDAC1HDAC2HDAC8

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
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 (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 MAPT 1618/4885TDP1 2390/4885HDAC3 770/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 MAPT 1734/4885TDP1 2480/4885HDAC3 1673/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPT 1618/4885TDP1 2390/4885HDAC3 770/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPT 1618/4885TDP1 2390/4885HDAC3 770/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPT 1618/4885TDP1 2390/4885HDAC3 770/4885

“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.