SCHEMBL2730294

SCHEMBL2730294

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ALK Q9UM73 2/20 0.90
GAK O14976 1/20 0.90
FES P07332 1/20 0.90
FER P16591 1/20 0.90
ERBB3 P21860 1/20 0.90
TEC P42680 1/20 0.90
CLK1 P49759 1/20 0.90
JAK3 P52333 1/20 0.90
PTK2 Q05397 1/20 0.90
BTK Q06187 1/20 0.90
TNK1 Q13470 1/20 0.90

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
SCHEMBL2730802 0.95 EGFR (0.95) EGFRALKGAKFESFER
Rociletinib SCHEMBL29350136 0.95 EGFR (1.00) EGFRALKGAKFESFER
Rociletinib SCHEMBL29448192 0.95 EGFR (1.00) EGFRALKGAKFESFER
Rociletinib SCHEMBL4177736 0.95 EGFR (1.00) EGFRALKGAKFESFER
Rociletinib SCHEMBL30101824 0.94 EGFR (0.99) EGFRALKGAKFESFER
SCHEMBL2730829 0.94 EGFR (1.00) EGFRALKGAKFESFER
SCHEMBL2722575 0.94 EGFR (1.00) EGFRALKGAKFESFER
SCHEMBL17002256 0.93 EGFR (0.88) EGFRALKGAKFESFER
SCHEMBL24413599 0.93 EGFR (0.87) EGFRALKGAKFESFER
SCHEMBL4173027 0.93 EGFR (1.00) EGFRALKGAKFESFER

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785814-A2 COMBINED CHEMILUMINESCENT AND FLUORESCENT POWDER MARKING SYSTEM Cranor, Earl (US) 2014-10-08 EP claimed
EP-2630215-A1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM Cyalume Technologies, Inc (US) 2013-08-28 EP claimed
WO-2013122644-A2 COMBINED CHEMILUMINESCENT AND FLUORESCENT POWDER MARKING SYSTEM CRANOR EARL (US) 2013-08-22 WO claimed
WO-2012058139-A1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM CYALUME TECHNOLOGIES, INC. (US) 2012-05-03 WO claimed
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
EP-2635284-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2013-09-11 EP disclosed
EP-2630436-A1 MULTI-MARKER MARKING SYSTEM Cyalume Technologies, Inc (US) 2013-08-28 EP disclosed
EP-2630215-A1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM Cyalume Technologies, Inc (US) 2013-08-28 EP disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
WO-2012061065-A1 MULTI-MARKER MARKING SYSTEM CYALUME TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed
WO-2012058139-A1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM CYALUME TECHNOLOGIES, INC. (US) 2012-05-03 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 (5 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 2849/4885ALK 854/4885GAK 1852/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885GAK 1852/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885GAK 1852/4885
US-20180353508-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885GAK 1852/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885GAK 1852/4885

“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.