SCHEMBL15948602

SCHEMBL15948602

CCSC(C)(C)CC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15948442 0.82 CES2 (0.35)
SCHEMBL15948669 0.78 ALDH1A1 (0.36) TDP1
SCHEMBL21313320 0.76 CES2 (0.40)
SCHEMBL12312189 0.71 CES2 (0.33) TDP1
SCHEMBL270702 0.71
SCHEMBL9134052 0.70 TDP1 (0.45) TDP1
SCHEMBL7787576 0.69
SCHEMBL641437 0.69
SCHEMBL21118661 0.69
SCHEMBL21166455 0.69 TDP1 (0.30) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 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-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 US 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 (11 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 TDP1 2390/4885
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TDP1 3334/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TDP1 2059/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 TDP1 2480/4885
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK TDP1 1864/4885
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TDP1 2390/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TDP1 2390/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TDP1 2059/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TDP1 2390/4885

“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.