SCHEMBL9893739

SCHEMBL9893739

C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC)c3OC)ncc2C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 2/20 0.73
ERBB3 P21860 2/20 0.73
ERBB4 Q15303 2/20 0.73
BTK Q06187 1/20 0.70

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
SCHEMBL5585381 0.94 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL2717532 0.93 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL19966419 0.89 EGFR (0.85) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL9923763 0.88 EGFR (0.82) EGFRBTK
SCHEMBL5585465 0.87 EGFR (1.00) EGFR
SCHEMBL5585166 0.87 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL9893779 0.87 EGFR (1.00) EGFR
SCHEMBL9923764 0.87 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL12519518 0.87 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL29722500 0.87 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081606-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2018-09-25 US disclosed
US-20180072687-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072687-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-9765038-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-09-19 US disclosed
US-9765038-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-09-19 US disclosed
EP-2635285-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2017-05-03 EP disclosed
EP-2635285-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2017-05-03 EP disclosed
US-20160130236-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 US disclosed
US-20160130236-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 US disclosed
US-9238629-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-19 US disclosed
US-9238629-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-19 US disclosed
US-20120149722-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20120149722-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
WO-2012061303-A1 HETEROARYL 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 (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-20180072687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB3 294/4885
US-20160130236-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB3 294/4885
US-20120149722-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB3 294/4885
US-10081606-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB3 294/4885

“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.