SCHEMBL4177480

SCHEMBL4177480

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
ALK Q9UM73 4/20 0.72
JAK3 P52333 3/20 0.68
JAK2 O60674 2/20 0.68
FLT3 P36888 2/20 0.68
BLK P51451 2/20 0.68
BTK Q06187 2/20 0.68
ITK Q08881 2/20 0.68
JAK1 P23458 1/20 0.68
TTK P33981 1/20 0.68
TXK P42681 1/20 0.68
PLK4 O00444 1/20 0.67
GAK O14976 1/20 0.67
NUAK1 O60285 1/20 0.67
BMX P51813 1/20 0.67
CTSC P53634 1/20 0.67
PTK2 Q05397 1/20 0.67
ERBB4 Q15303 1/20 0.67
DCLK3 Q9C098 1/20 0.67
NUAK2 Q9H093 1/20 0.67

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
SCHEMBL9945455 0.93 EGFR (0.86) EGFRALKJAK3BTKGAK
SCHEMBL10128042 0.91 EGFR (0.86) EGFRALKJAK3JAK2FLT3
SCHEMBL4171602 0.90 EGFR (1.00) EGFRALKJAK3BTKGAK
SCHEMBL2724456 0.90 EGFR (1.00) EGFRALKJAK3BTKGAK
SCHEMBL2724418 0.89 EGFR (1.00) EGFRALKJAK3JAK2FLT3
SCHEMBL2722635 0.89 EGFR (1.00) EGFRALKJAK3JAK2FLT3
SCHEMBL4172118 0.88 EGFR (1.00) EGFRALKJAK3JAK2FLT3
SCHEMBL17058927 0.87 EGFR (0.77) EGFRALKJAK3BTKGAK
SCHEMBL28589814 0.87 EGFR (0.94) EGFRALKJAK3BTKGAK
SCHEMBL12518488 0.85 EGFR (0.77) EGFRALKJAK3JAK2FLT3

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 26 patents — showing the first 20. 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-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 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-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-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
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 (6 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 854/4885JAK3 741/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885JAK3 741/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885JAK3 741/4885
US-20180353508-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885JAK3 741/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885JAK3 741/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885ALK 854/4885JAK3 741/4885

“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.