SCHEMBL3945397

SCHEMBL3945397

CC(C)(C)ON(C=O)CCCn1c(-c2ccco2)c(C#N)c2nc[nH]c(=O)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
BLM P54132 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3938674 0.95 HTT (0.34) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3940382 0.82 HTT (0.36) HTTALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3944915 0.82 HTT (0.33) HTT
SCHEMBL3942240 0.80 HTT (0.38) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL27616373 0.80 HTT (0.34) HTT
SCHEMBL3945491 0.80 HTT (0.34) HTT
Hydrochloric Acid SCHEMBL3935726 0.79 HTT (0.37) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13843412 0.79 ADORA2A (0.40)
SCHEMBL3935443 0.78 HTT (0.40) HTT
SCHEMBL13843307 0.78 HTT (0.39) HTTALDH1A1KDM4EMEN1KMT2A

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-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 EP 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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP HTT 3815/4885ALDH1A1 2709/4885KDM4E 1378/4885

“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.