SCHEMBL14769279

SCHEMBL14769279

Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.69
BTK Q06187 5/20 0.69
JAK3 P52333 3/20 0.69
SYK P43405 2/20 0.67
ITK Q08881 8/20 0.62
BRD4 O60885 3/20 0.56

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
SCHEMBL18011892 0.88 SYK (0.66) EGFRBTKJAK3SYKITK
SCHEMBL13166506 0.87 SYK (0.67) EGFRBTKJAK3SYKITK
SCHEMBL18012007 0.86 SYK (0.63) EGFRBTKJAK3SYKITK
SCHEMBL18012019 0.85 SYK (0.60) EGFRBTKJAK3SYKITK
SCHEMBL656998 0.85 SYK (0.90) EGFRBTKSYKITK
SCHEMBL30306552 0.85 SYK (0.56) EGFRBTKJAK3SYKITK
SCHEMBL9923768 0.85 SYK (0.56) EGFRBTKJAK3SYKITK
SCHEMBL20216213 0.84 EGFR (0.77) EGFRBTKJAK3SYKITK
SCHEMBL12519735 0.84 BTK (0.59) EGFRBTKJAK3SYKITK
SCHEMBL12519618 0.82 EGFR (0.55) EGFRBTKJAK3SYKITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 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 (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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EGFR 460/4885BTK 261/4885JAK3 155/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885JAK3 439/4885

“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.