SCHEMBL13860285

SCHEMBL13860285

Nc1ncnc2c1c(-c1ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc1)nn2C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.62
LCK P06239 2/20 0.62
ITK Q08881 2/20 0.58
EGFR P00533 2/20 0.55
RET P07949 1/20 0.54

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
SCHEMBL15516393 0.90 BTK (0.63) BTKLCKITKEGFRRET
SCHEMBL13860851 0.90 BTK (0.63) BTKLCKITKEGFRRET
SCHEMBL1317957 0.86 ITK (0.59) BTKLCKITKEGFRRET
SCHEMBL1320677 0.86 ITK (0.59) BTKLCKITKEGFRRET
SCHEMBL1317962 0.86 ITK (0.59) BTKLCKITKEGFRRET
SCHEMBL14268404 0.86 LCK (0.83) BTKLCKEGFR
SCHEMBL16194714 0.86 BTK (0.63) BTKLCKITKEGFRRET
SCHEMBL4827168 0.84 BTK (0.55) BTKLCKITKEGFR
SCHEMBL15517102 0.84 BTK (0.65) BTKLCKITKEGFRRET
SCHEMBL16594546 0.83 BTK (0.72) BTK

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
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-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-20150353562-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-8962831-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 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
EP-2710005-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (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-2012158764-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (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 (7 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 4/4885LCK 10/4885ITK 2/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885LCK 10/4885ITK 2/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885LCK 10/4885ITK 2/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 BTK 156/4885LCK 259/4885ITK 3666/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885LCK 10/4885ITK 2/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885LCK 10/4885ITK 2/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN BTK 1/4885LCK 4/4885ITK 49/4885

“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.