SCHEMBL4180112

SCHEMBL4180112

CC(C)(C)OC(=O)Nc1cccc(Nc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52
MET P08581 2/20 0.50
BRD4 O60885 1/20 0.50
CDK1 P06493 1/20 0.47
EGFR P00533 9/20 0.47
SRC P12931 1/20 0.46
BCL6 P41182 1/20 0.44
ALK Q9UM73 1/20 0.44
BTK Q06187 2/20 0.43
JAK3 P52333 1/20 0.43
CTSL P07711 1/20 0.43
CTSC P53634 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNK O75909 1/20 0.43
CYP3A4 P08684 1/20 0.43
CCND3 P30281 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43

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
SCHEMBL13622970 0.93 SYK (0.51) SYKSTK17BSTK17AMETBRD4
SCHEMBL13623023 0.90 MET (0.49) SYKSTK17BSTK17AMETBRD4
SCHEMBL13623118 0.90 AURKA (0.50) SYKSTK17BSTK17AMETBRD4
SCHEMBL13623131 0.90 SYK (0.50) SYKSTK17BSTK17AMETBRD4
SCHEMBL9923768 0.90 SYK (0.56) SYKSTK17BSTK17AMETBRD4
SCHEMBL30306552 0.90 SYK (0.56) SYKSTK17BSTK17AMETBRD4
SCHEMBL13623014 0.89 BTK (0.49) SYKSTK17BSTK17AMETBRD4
SCHEMBL13623129 0.89 SYK (0.47) SYKSTK17BSTK17AMETBRD4
SCHEMBL4166343 0.89 SYK (0.55) SYKSTK17BSTK17AMETBRD4
SCHEMBL12518613 0.89 SYK (0.71) SYKMETBRD4EGFRCCNT1

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-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2022-07-14 US disclosed
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2020-09-03 US disclosed
US-10434101-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2019-10-08 US disclosed
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 US disclosed
US-9375431-B2 2,4-disubstituted pyrimidine compounds useful as kinase inhibtors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-28 US disclosed
US-9375431-B2 2,4-disubstituted pyrimidine compounds useful as kinase inhibtors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-28 US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 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 (6 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-10434101-B2 Heterocyclic compounds and uses thereof ABCG2, CYP3A5, CYP3A43 SYK 2551/4885STK17B 3020/4885STK17A 2493/4885
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 SYK 2551/4885STK17B 3020/4885STK17A 2493/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 SYK 2551/4885STK17B 3020/4885STK17A 2493/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 SYK 2551/4885STK17B 3020/4885STK17A 2493/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 SYK 2551/4885STK17B 3020/4885STK17A 2493/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 SYK 2551/4885STK17B 3020/4885STK17A 2493/4885

“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.