SCHEMBL3940382

SCHEMBL3940382

CC(C)(C)ON(C=O)CCn1c(-c2ccccc2)c(C#N)c2nc[nH]c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
DPP4 P27487 1/20 0.30
HTR3A P46098 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3945491 0.87 HTT (0.34) HTT
SCHEMBL3938674 0.86 HTT (0.34) HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3935443 0.86 HTT (0.40) HTT
SCHEMBL3940935 0.84 HTT (0.33) HTT
SCHEMBL3939357 0.84 HTT (0.33) HTT
SCHEMBL3944915 0.84 HTT (0.33) HTT
SCHEMBL3945397 0.82 HTT (0.33) HTTHSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4557542 0.81 HTT (0.38) HTT
SCHEMBL3940363 0.78 HTT (0.41) HTTHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL3946210 0.78 HTT (0.41) HTTHSD17B10ALDH1A1KDM4ELMNA

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 3815/4885HSD17B10 1357/4885ALDH1A1 2709/4885

“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.