SCHEMBL13860877

SCHEMBL13860877

N#CC(=CC1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 1.00
ITK Q08881 2/20 0.64
EGFR P00533 2/20 0.62

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
SCHEMBL15576970 1.00 BTK (1.00) BTKITKEGFR
SCHEMBL13978479 1.00 BTK (1.00) BTKITKEGFR
SCHEMBL13860878 1.00 BTK (1.00) BTKITKEGFR
SCHEMBL13860876 1.00 BTK (1.00) BTKITKEGFR
SCHEMBL13860959 1.00 BTK (1.00) BTKITKEGFR
SCHEMBL15517337 0.92 BTK (0.85) BTKITKEGFR
SCHEMBL13977847 0.92 BTK (0.85) BTKITKEGFR
SCHEMBL13861151 0.92 BTK (1.00) BTKITKEGFR
SCHEMBL15517090 0.92 BTK (1.00) BTKITKEGFR
SCHEMBL13977859 0.92 BTK (1.00) BTKITKEGFR

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-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 US disclosed
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 US disclosed
EP-2710005-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-05 EP disclosed
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 US disclosed
US-20150182530-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2015-07-02 US disclosed
US-8962635-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 US disclosed
WO-2014022569-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2014-02-06 WO disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 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 (8 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885ITK 2/4885EGFR 21/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885ITK 2/4885EGFR 21/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885ITK 2/4885EGFR 21/4885
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 BTK 279/4885ITK 507/4885EGFR 432/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 BTK 156/4885ITK 3666/4885EGFR 3358/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885ITK 2/4885EGFR 21/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885ITK 2/4885EGFR 21/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN BTK 1/4885ITK 49/4885EGFR 128/4885

“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.