SCHEMBL13875162

SCHEMBL13875162

O=c1[nH]c(C=S)nc2ccnn12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.35
▸ SPR P35270 1/20 0.33
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL4004452 0.74 HAVCR2 (0.39) PDE10ASPRHTR2CHTR2B
SCHEMBL15739828 0.74 PDE10A (0.38) PDE10ASPRHTR2AHTR2CHTR2B
SCHEMBL13890356 0.71 PDE10A (0.36) PDE10ASPRHTR2AHTR2CHTR2B
SCHEMBL18701564 0.70 USP2 (0.41) PDE10ASPRHTR2AHTR2CHTR2B
SCHEMBL18711468 0.70 L3MBTL1 (0.38) PDE10ASPRHTR2AHTR2CHTR2B
SCHEMBL1487918 0.70 KMT2A (0.36) PDE10ASPR
SCHEMBL4003319 0.68 KDM4C (0.41) PDE10ASPRHTR2AHTR2CHTR2B
SCHEMBL3999675 0.67 GSK3B (0.43) PDE10ASPR
SCHEMBL6517226 0.67 SPR (0.38) PDE10ASPR
SCHEMBL867071 0.62 KDR (0.35) PDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 — — 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-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same BDNF, NTRK2, NGF PDE10A 234/4885SPR 2959/4885HTR2A 393/4885

“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.

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