SCHEMBL15828862

SCHEMBL15828862

CN(C(=O)OC(C)(C)C)c1cccc(Nc2nc(Cl)ncc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.49
EGFR P00533 7/20 0.42
ITK Q08881 6/20 0.42
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
BTK Q06187 1/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL15814145 0.85 SYK (0.47) SYKEGFRITKCCNT1CCNE1
SCHEMBL12518613 0.81 SYK (0.71) SYKEGFRITKCCNT1CCNE1
SCHEMBL18704244 0.80 ITK (0.57) SYKEGFRITKBTK
SCHEMBL18712208 0.79 EGFR (0.64) SYKEGFRITKBTK
SCHEMBL15828882 0.76 EGFR (0.60) SYKEGFRITKBTK
SCHEMBL15828831 0.76 SYK (0.37) SYKEGFRITKBTK
SCHEMBL691972 0.75 NPC1 (0.48) EGFR
SCHEMBL12519774 0.74 MAPK1 (0.54) SYKEGFRITKAURKA
SCHEMBL1036047 0.74 EGFR (0.53) SYKEGFRITKCCNT1CCNE1
SCHEMBL653263 0.73 SYK (0.53) SYKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US disclosed
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US disclosed
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 US disclosed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 US disclosed
US-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2015-12-31 US disclosed
US-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2015-12-31 US disclosed
US-9126950-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-08 US disclosed
US-9126950-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-08 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 WO disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 US disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 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 (4 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-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885EGFR 1981/4885ITK 2697/4885
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885EGFR 1981/4885ITK 2697/4885
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885EGFR 1981/4885ITK 2697/4885
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885EGFR 1981/4885ITK 2697/4885

“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.