SCHEMBL13890356

SCHEMBL13890356

O=c1[nH]c(CS)nc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ SPR P35270 1/20 0.33
▸ KCNN3 Q9UGI6 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ RET P07949 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ LTK P29376 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
SCHEMBL18711468 0.85 L3MBTL1 (0.38) PDE10ASPRKCNN3HTR2CHTR2B
SCHEMBL4003319 0.82 KDM4C (0.41) PDE10ASPRKCNN3KMT2AHTR2C
SCHEMBL3999675 0.81 GSK3B (0.43) PDE10ASPRMAPTGSK3B
SCHEMBL15739828 0.79 PDE10A (0.38) PDE10ASPRKCNN3HTR2CHTR2B
SCHEMBL4004452 0.75 HAVCR2 (0.39) PDE10ASPRKCNN3HTR2CHTR2B
SCHEMBL1487918 0.71 KMT2A (0.36) PDE10ASPRMEN1KMT2A
SCHEMBL18701564 0.71 USP2 (0.41) PDE10ASPRHTR2CHTR2BJAK2
SCHEMBL867071 0.63 KDR (0.35) PDE10AKDR
SCHEMBL21754381 0.61 — —
SCHEMBL2041629 0.58 — —

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 2959/4885KCNN3 3071/4885

“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.

Send feedback