SCHEMBL3358834

SCHEMBL3358834

COc1ccc(Cn2cc(-c3nc(Nc4ccccn4)sc3C(F)(F)F)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
GRM4 Q14833 2/20 0.39
ACP1 P24666 1/20 0.37
ACHE P22303 1/20 0.37
POLQ O75417 1/20 0.36
PGK1 P00558 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL3354490 0.89 MEN1 (0.45) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL3353868 0.88 GRM4 (0.53) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL3356253 0.88 MEN1 (0.45) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL2510554 0.87 MEN1 (0.45) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL3357349 0.84 NPC1 (0.43) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL2504661 0.84 GRM4 (0.41) NPC1RAB9ASMN1; SMN2GRM4ACHE
SCHEMBL2512403 0.82 MEN1 (0.41) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL2532075 0.79 NPC1 (0.67) MEN1NPC1MAPTNFKB1MAPK1
SCHEMBL2509685 0.77 ADORA2A (0.41) ACHEPOLQPGK1ADORA2AADORA2B
SCHEMBL2511416 0.77 ACHE (0.38) MAPTMAPK1GRM4ACHEPGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO 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 (2 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 MEN1 3884/4885NPC1 2378/4885MAPT 1440/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 MEN1 3722/4885NPC1 2504/4885MAPT 1498/4885

“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.