SCHEMBL4417519

SCHEMBL4417519

CCc1nc(Cl)c(C#N)[n+]([O-])c1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL4417510 0.77 KDM4E (0.33) GLAHTTL3MBTL1
SCHEMBL8144119 0.65 HTT (0.47) GLAHTTL3MBTL1ALDH1A1
SCHEMBL4412381 0.65 HTT (0.44) GLAHTTL3MBTL1ALDH1A1
SCHEMBL6345951 0.61 GLA (0.41) GLAHTTALDH1A1
SCHEMBL11093101 0.61 HTT (0.43) GLAHTTL3MBTL1ALDH1A1
SCHEMBL4412358 0.61 GLA (0.40) GLAHTTL3MBTL1ALDH1A1
SCHEMBL29658525 0.61 HTT (0.56) GLAHTTL3MBTL1ALDH1A1
SCHEMBL19717030 0.61 HTT (0.56) GLAHTTL3MBTL1ALDH1A1
SCHEMBL29798993 0.60 HTT (0.54) GLAHTTL3MBTL1ALDH1A1
SCHEMBL28632389 0.60 HTT (0.54) GLAHTTL3MBTL1ALDH1A1

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-1397351-B1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 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-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 GLA 4570/4885HTT 2257/4885L3MBTL1 3646/4885

“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.