SCHEMBL9893595

SCHEMBL9893595

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)cc3OC)ncc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
BTK Q06187 2/20 0.75
PLK4 O00444 1/20 0.75
GAK O14976 1/20 0.75
NUAK1 O60285 1/20 0.75
JAK2 O60674 1/20 0.75
FLT3 P36888 1/20 0.75
BLK P51451 1/20 0.75
BMX P51813 1/20 0.75
JAK3 P52333 1/20 0.75
CTSC P53634 1/20 0.75
PTK2 Q05397 1/20 0.75
ITK Q08881 1/20 0.75
ERBB4 Q15303 1/20 0.75
DCLK3 Q9C098 1/20 0.75
NUAK2 Q9H093 1/20 0.75
EML4 Q9HC35 1/20 0.75
EIF2AK4 Q9P2K8 1/20 0.75
ALK Q9UM73 1/20 0.75

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
SCHEMBL24784922 0.92 EGFR (0.86) EGFRBTKPLK4GAKNUAK1
SCHEMBL9893707 0.92 EGFR (1.00) EGFRBTKPLK4GAKNUAK1
SCHEMBL13832467 0.92 EGFR (0.85) EGFRBTKPLK4GAKNUAK1
SCHEMBL9923760 0.91 EGFR (0.83) EGFRBTKPLK4GAKNUAK1
SCHEMBL10064985 0.90 EGFR (0.81) EGFRBTKPLK4GAKNUAK1
SCHEMBL5585132 0.90 EGFR (1.00) EGFRBTKPLK4GAKNUAK1
SCHEMBL7611591 0.90 EGFR (0.81) EGFRBTKPLK4GAKNUAK1
SCHEMBL13728964 0.90 EGFR (0.81) EGFRBTKPLK4GAKNUAK1
SCHEMBL5585393 0.89 EGFR (1.00) EGFRBTKPLK4GAKNUAK1
SCHEMBL2718163 0.89 EGFR (1.00) EGFRBTKPLK4GAKNUAK1

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 18 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

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 594/4885PLK4 3209/4885
US-20160130236-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885PLK4 3209/4885
US-20120149722-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885PLK4 3209/4885
US-10081606-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885PLK4 3209/4885

“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.