SCHEMBL10127962

SCHEMBL10127962

C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 1.00
JAK3 P52333 5/20 0.73
EGFR P00533 4/20 0.73
JAK2 O60674 1/20 0.73
BLK P51451 1/20 0.73
BMX P51813 1/20 0.73
MAP3K7 O43318 5/20 0.68
MAP2K1 Q02750 4/20 0.68
SRC P12931 2/20 0.68
MAPK1 P28482 2/20 0.68
FGFR1 P11362 1/20 0.68
FLT3 P36888 2/20 0.63
PAK1 Q13153 1/20 0.61

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
SCHEMBL17062815 0.93 BTK (0.87) BTKJAK3EGFRJAK2BLK
SCHEMBL12813134 0.91 BTK (1.00) BTKJAK3EGFRJAK2BLK
SCHEMBL28980968 0.89 BTK (0.80) BTKJAK3EGFRJAK2BLK
SCHEMBL31684778 0.89 BTK (0.80) BTKJAK3EGFRJAK2BLK
SCHEMBL17359432 0.89 BTK (0.83) BTKJAK3EGFRJAK2BLK
SCHEMBL17071760 0.88 BTK (0.78) BTKJAK3EGFRJAK2BLK
SCHEMBL16514136 0.86 BTK (0.76) BTKJAK3EGFRJAK2BLK
SCHEMBL29848145 0.86 BTK (0.76) BTKJAK3EGFRJAK2BLK
SCHEMBL16514468 0.86 BTK (0.75) BTKJAK3EGFRJAK2BLK
SCHEMBL30854787 0.85 MAP3K7 (0.74) BTKJAK3EGFRJAK2BLK

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
EP-2694486-B1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2018-01-10 EP disclosed
US-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2016-02-18 US disclosed
US-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2016-02-18 US disclosed
US-9206176-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-9206176-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-8703767-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
EP-2694486-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University of Utah Research Foundation (US) 2014-02-12 EP disclosed
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2013-03-07 US disclosed
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2013-03-07 US disclosed
WO-2012135801-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 WO disclosed
WO-2012135801-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 WO disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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 (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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 BTK 84/4885JAK3 37/4885EGFR 1/4885
US-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885JAK3 58/4885EGFR 323/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 BTK 84/4885JAK3 37/4885EGFR 1/4885
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885JAK3 58/4885EGFR 323/4885

“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.