SCHEMBL17071650

SCHEMBL17071650

C=CC(=O)Nc1cccc(-c2nc(Nc3cccc(NCCCN4CCN(CCO)CC4)c3)ncc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.61
EGFR P00533 4/20 0.58
JAK3 P52333 6/20 0.56
FGFR2 P21802 3/20 0.55
CDK7 P50613 1/20 0.52
CCNH P51946 1/20 0.52
FGFR1 P11362 2/20 0.52
KDR P35968 2/20 0.52
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
TTK P33981 1/20 0.50

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
SCHEMBL17071471 0.94 BTK (0.70) BTKEGFRJAK3CDK7CCNH
SCHEMBL17071497 0.93 BTK (0.65) BTKEGFRJAK3CDK7CCNH
SCHEMBL17071586 0.92 BTK (0.70) BTKEGFRJAK3JAK2JAK1
SCHEMBL17071646 0.91 BTK (0.58) BTKEGFRJAK3CDK7CCNH
SCHEMBL22213197 0.91 BTK (0.61) BTKEGFRJAK3CDK7CCNH
SCHEMBL17071635 0.91 BTK (0.60) BTKEGFRJAK3CDK7CCNH
SCHEMBL17071654 0.90 BTK (0.61) BTKEGFRJAK3CDK7CCNH
SCHEMBL17071651 0.89 BTK (0.56) BTKEGFRJAK3CDK7CCNH
SCHEMBL17071649 0.89 BTK (0.62) BTKEGFRJAK3FGFR2
SCHEMBL17071642 0.88 BTK (0.72) BTKEGFRJAK3FGFR2CDK7

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 3 patents. 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
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

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 1/4885EGFR 294/4885JAK3 41/4885
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885EGFR 323/4885JAK3 58/4885

“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.