SCHEMBL4417510

SCHEMBL4417510

CCc1c(C)nc(Cl)c(C#N)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.30
HTT P42858 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
SCHEMBL4417519 0.77 GLA (0.40) L3MBTL1GLAHTT
SCHEMBL4412358 0.61 GLA (0.40) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL19717043 0.61 KDM4E (0.51) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL29658703 0.61 KDM4E (0.51) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL6955377 0.59 CYP1A2 (0.51) KDM4EMEN1GAAKMT2AL3MBTL1
SCHEMBL4412381 0.57 HTT (0.44) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL23886085 0.57 KDM4E (0.42) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL30019671 0.57 KDM4E (0.42) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL8139181 0.57 KDM4E (0.42) KDM4EMEN1GAAMAPTCACNA1B
SCHEMBL4919141 0.55 GPR84 (0.33) KDM4EMAPT

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 KDM4E 2735/4885MEN1 3866/4885GAA 4374/4885

“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.