SCHEMBL5585407

SCHEMBL5585407

C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3OC)ncc2Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
BTK Q06187 1/20 0.67
ITK Q08881 1/20 0.60

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
SCHEMBL5585427 0.95 EGFR (1.00) EGFRBTK
SCHEMBL19360700 0.92 EGFR (0.86) EGFRBTKITK
SCHEMBL19360702 0.92 EGFR (0.88) EGFRBTKITK
SCHEMBL9923765 0.90 EGFR (0.82) EGFRBTKITK
SCHEMBL2718163 0.90 EGFR (1.00) EGFRBTKITK
SCHEMBL9925293 0.90 EGFR (0.81) EGFRBTKITK
SCHEMBL5585132 0.89 EGFR (1.00) EGFRBTKITK
SCHEMBL5585465 0.87 EGFR (1.00) EGFR
SCHEMBL9893779 0.87 EGFR (1.00) EGFRITK
SCHEMBL9923761 0.85 EGFR (0.83) EGFRBTKITK

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 19 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-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
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-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-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
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 1981/4885BTK 594/4885ITK 2697/4885
US-20160130236-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885ITK 2697/4885
US-20120149722-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885ITK 2697/4885
US-10081606-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885ITK 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.