SCHEMBL20154764

SCHEMBL20154764

C=CC(=O)Nc1cccc(-c2nc(Nc3cccc(N4CCN(C)C(F)C4)c3)ncc2Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.69
CDK7 P50613 1/20 0.53
CCNH P51946 1/20 0.53
EGFR P00533 6/20 0.52
JAK3 P52333 6/20 0.51
JAK2 O60674 2/20 0.51
BLK P51451 2/20 0.51
BMX P51813 2/20 0.51
PAK1 Q13153 1/20 0.51
SRC P12931 1/20 0.49
PLK4 O00444 1/20 0.48
GAK O14976 1/20 0.48
NUAK1 O60285 1/20 0.48
FLT3 P36888 1/20 0.48
CTSC P53634 1/20 0.48
PTK2 Q05397 1/20 0.48
ITK Q08881 1/20 0.48
ERBB4 Q15303 1/20 0.48
DCLK3 Q9C098 1/20 0.48
NUAK2 Q9H093 1/20 0.48

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
SCHEMBL17071364 0.88 BTK (0.58) BTKEGFRJAK3FLT3
SCHEMBL17062815 0.88 BTK (0.87) BTKEGFRJAK3JAK2BLK
SCHEMBL17071633 0.86 BTK (0.73) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071652 0.85 BTK (0.71) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071585 0.85 BTK (0.70) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071472 0.84 BTK (0.73) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071634 0.84 BTK (0.70) BTKCDK7CCNHEGFRJAK3
SCHEMBL17071642 0.84 BTK (0.72) BTKCDK7CCNHEGFRJAK3
SCHEMBL15637613 0.83 BTK (0.72) BTKCDK7CCNHEGFRJAK3
SCHEMBL15640174 0.83 BTK (0.89) BTKEGFRJAK3JAK2BLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.