SCHEMBL3354854

SCHEMBL3354854

c1ccc(Nc2nc(-c3cn[nH]c3)ns2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.62
KCNH2 Q12809 3/20 0.62
FYN P06241 1/20 0.50
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDR P35968 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
MAPK1 P28482 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3358623 0.81 NPC1 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL3359649 0.81 KDR (0.45) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL3359646 0.81 GRM4 (0.41) GRM4KCNH2FYNNPC1RAB9A
SCHEMBL2277794 0.77 GRM4 (0.56) GRM4KCNH2FYNNPC1RAB9A
SCHEMBL366994 0.77 GRM4 (1.00) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL31060271 0.77 GRM4 (1.00) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL22583068 0.76 KCNN1 (0.57) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL30000401 0.76 KCNN1 (0.57) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL2532786 0.76 GRM4 (0.76) GRM4KCNH2FYNNPC1RAB9A
SCHEMBL3354402 0.75 GRM4 (0.44) GRM4KCNH2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101874029-A Pyrazole derivatives as metabotropic glutamate receptor modulators ADDEX PHARMACEUTICALS SA 2010-10-27 CN claimed
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 claimed
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 claimed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO claimed
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
CN-101874029-A Pyrazole derivatives as metabotropic glutamate receptor modulators ADDEX PHARMACEUTICALS SA 2010-10-27 CN 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 GRM4 2/4885KCNH2 1695/4885FYN 1967/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 GRM4 2/4885KCNH2 1768/4885FYN 1801/4885

“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.