SCHEMBL15637613

SCHEMBL15637613

C=CC(=O)Nc1cccc(-c2nc(Nc3cccc(N4CCNCC4)c3)ncc2Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.72
CDK7 P50613 2/20 0.68
CCNH P51946 2/20 0.68
CCNT1 O60563 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
CCNA1 P78396 1/20 0.55
EGFR P00533 6/20 0.54
JAK3 P52333 3/20 0.52
JAK2 O60674 2/20 0.52
JAK1 P23458 1/20 0.52
TTK P33981 1/20 0.52
BLK P51451 2/20 0.51
BMX P51813 1/20 0.51
FLT3 P36888 1/20 0.51
CTSC P53634 1/20 0.51
MAPK3 P27361 1/20 0.51

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 0.90 BTK (0.87) BTKEGFRJAK3JAK2JAK1
SCHEMBL15640174 0.90 BTK (0.89) BTKEGFRJAK3JAK2JAK1
SCHEMBL17071652 0.88 BTK (0.71) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071633 0.88 BTK (0.73) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071472 0.88 BTK (0.73) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071634 0.88 BTK (0.70) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071642 0.87 BTK (0.72) BTKCDK7CCNHEGFRJAK3
SCHEMBL15639047 0.84 BTK (0.68) BTKCDK7CCNHCCNA2CDK2
SCHEMBL12813134 0.84 BTK (1.00) BTKEGFRJAK3JAK2JAK1
SCHEMBL15639959 0.83 BTK (0.74) BTKCDK7CCNHEGFRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680238-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University of Utah Research Foundation (US) 2020-07-15 EP disclosed
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2018-05-17 US disclosed
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2018-05-17 US disclosed
US-9828376-B2 Substituted N-(3-pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-11-28 US disclosed
US-9828376-B2 Substituted N-(3-pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-11-28 US disclosed
US-20150252048-A1 SUBSTITUTED N-(3-PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2015-09-10 US disclosed
US-20150252048-A1 SUBSTITUTED N-(3-PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2015-09-10 US disclosed
EP-2903972-A2 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University Of Utah Research Foundation (US) 2015-08-12 EP disclosed
WO-2014055928-A2 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-04-10 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 (2 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-20150252048-A1 SUBSTITUTED N-(3-PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885CDK7 594/4885CCNH 2328/4885
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885CDK7 571/4885CCNH 2212/4885

“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.