SCHEMBL15814036

SCHEMBL15814036

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCO)cc3)ncc2F)c1

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.88
ITK Q08881 6/20 0.88
BTK Q06187 8/20 0.83
JAK2 O60674 1/20 0.83
LYN P07948 1/20 0.83
TEC P42680 1/20 0.83
TXK P42681 1/20 0.83
BMX P51813 1/20 0.83
JAK3 P52333 1/20 0.83
CD69 Q07108 1/20 0.83

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
SCHEMBL12519538 0.94 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL29722231 0.94 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL18737405 0.93 EGFR (0.83) EGFRITKBTKJAK2LYN
SCHEMBL15828854 0.92 EGFR (0.85) EGFRITKBTKJAK2LYN
SCHEMBL28441535 0.92 EGFR (0.82) EGFRITKBTKJAK2LYN
Spebrutinib SCHEMBL626216 0.91 EGFR (1.00) EGFRITKBTKJAK2LYN
Spebrutinib SCHEMBL29359972 0.91 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL28443383 0.91 EGFR (0.81) EGFRITKBTKJAK2LYN
SCHEMBL29722399 0.91 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL12518308 0.91 EGFR (1.00) EGFRITKBTKJAK2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US disclosed
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US disclosed
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US disclosed
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 US disclosed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 US disclosed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 US disclosed
US-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2015-12-31 US disclosed
US-9126950-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-08 US disclosed
US-9126950-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-08 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 US disclosed
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 WO disclosed
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 WO disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 US disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 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-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ITK 2697/4885BTK 594/4885
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ITK 2697/4885BTK 594/4885
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ITK 2697/4885BTK 594/4885
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ITK 2697/4885BTK 594/4885

“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.