SCHEMBL17359402

SCHEMBL17359402

CNc1ccc(N2CCOCC2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACP1 P24666 1/20 0.40

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
SCHEMBL17359412 0.91 PIK3CA (0.36) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL21122460 0.83 GAA (0.47) MAPTSMN1; SMN2MAPK1RAB9ATSHR
SCHEMBL17359427 0.82 DRD2 (0.46) MAPTSMN1; SMN2HTTMAPK1RAB9A
SCHEMBL2010279 0.82 ALDH1A1 (0.60) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL21122461 0.81 GAA (0.46) MAPTSMN1; SMN2MAPK1RAB9ATSHR
SCHEMBL21999244 0.81 HTT (0.55) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL13232531 0.78 ALDH1A1 (0.54) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL13958468 0.77 TP53 (0.56) MAPTSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL17359434 0.76 DRD2 (0.38) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL21122554 0.75 GAA (0.40) MAPTSMN1; SMN2MAPK1RAB9ATSHR

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 MAPT 2865/4885SMN1; SMN2 4151/4885LMNA 4287/4885

“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.