SCHEMBL17359455

SCHEMBL17359455

C=CC(=O)Nc1cccc(-c2nc(Nc3cc(F)c(N4CCN(C)CC4)c(OCOP(=O)(O)O)c3)ncc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.65
JAK3 P52333 12/20 0.54
PAK1 Q13153 2/20 0.53
JAK2 O60674 3/20 0.53
JAK1 P23458 2/20 0.53
TTK P33981 2/20 0.53
EGFR P00533 2/20 0.50
BLK P51451 2/20 0.50
BMX P51813 1/20 0.50
FGFR1 P11362 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.47
TXK P42681 1/20 0.47
ITK Q08881 1/20 0.47

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
SCHEMBL17359396 0.93 BTK (0.69) BTKJAK3JAK2JAK1TTK
SCHEMBL17359450 0.93 BTK (0.69) BTKJAK3PAK1JAK2JAK1
SCHEMBL17359435 0.89 BTK (0.69) BTKJAK3PAK1JAK2EGFR
SCHEMBL17359461 0.89 BTK (0.62) BTKJAK3PAK1JAK2JAK1
SCHEMBL17359458 0.87 BTK (0.50) BTKJAK3PAK1JAK2JAK1
SCHEMBL17359443 0.87 BTK (0.65) BTKJAK3JAK2JAK1TTK
SCHEMBL17359459 0.86 BTK (0.74) BTKJAK3PAK1JAK2JAK1
SCHEMBL17359397 0.86 BTK (0.71) BTKJAK3JAK2JAK1TTK
SCHEMBL17359449 0.82 BTK (0.72) BTKJAK3PAK1JAK2EGFR
SCHEMBL17359398 0.82 BTK (0.66) BTKJAK3JAK2JAK1TTK

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
EP-2903971-B1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2019-06-12 EP disclosed
US-9296703-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-03-29 US disclosed
US-20150368208-A1 Substituted N-(3-(Pyrimidin-4-YL)Phenyl)Acrylamide Analogs as Tyrosine Receptor Kinase BTK Inhibitors UNIVERSITY OF UTAH 2015-12-24 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-20150368208-A1 Substituted N-(3-(Pyrimidin-4-YL)Phenyl)Acrylamide Analogs as Tyrosine Receptor Kinase BTK Inhibitors BTK, SYK, LYN BTK 1/4885JAK3 58/4885PAK1 204/4885

“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.