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SCHEMBL4173017

SCHEMBL4173017

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3OC(F)F)ncc2C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.85
▸ GAK O14976 1/20 0.73
▸ FES P07332 1/20 0.73
▸ FER P16591 1/20 0.73
▸ ERBB3 P21860 1/20 0.73
▸ TEC P42680 1/20 0.73
▸ CLK1 P49759 1/20 0.73
▸ JAK3 P52333 1/20 0.73
▸ PTK2 Q05397 1/20 0.73
▸ BTK Q06187 1/20 0.73
▸ TNK1 Q13470 1/20 0.73
▸ ALK Q9UM73 1/20 0.73

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
SCHEMBL16556501 0.92 EGFR (0.87) EGFRGAKFESFERERBB3
SCHEMBL2726117 0.92 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL2723149 0.92 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL4170756 0.92 EGFR (0.86) EGFRGAKFESFERERBB3
SCHEMBL9945464 0.91 EGFR (0.73) EGFRGAKFESFERERBB3
SCHEMBL18459924 0.89 EGFR (0.82) EGFRGAKFESFERERBB3
SCHEMBL4171387 0.89 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL4173027 0.86 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL10074389 0.85 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL2730294 0.85 EGFR (1.00) EGFRGAKFESFERERBB3

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 20 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-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-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-10434101-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2019-10-08 — — US disclosed
US-20180353508-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-12-13 — — 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 (7 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 EGFR 2849/4885GAK 1852/4885FES 1328/4885
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885GAK 1852/4885FES 1328/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885GAK 1852/4885FES 1328/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885GAK 1852/4885FES 1328/4885
US-20180353508-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885GAK 1852/4885FES 1328/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885GAK 1852/4885FES 1328/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885GAK 1852/4885FES 1328/4885

“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.