SCHEMBL3358809

SCHEMBL3358809

Cc1cccc(Nc2nc(-c3c[nH]nc3C)ns2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.40
RAB9A P51151 11/20 0.40
MEN1 O00255 11/20 0.40
KMT2A Q03164 11/20 0.40
ATM Q13315 2/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
POLB P06746 3/20 0.38
GAA P10253 1/20 0.38
GRM4 Q14833 2/20 0.38
ALPL P05186 1/20 0.38
PPP1CA P62136 1/20 0.38

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
SCHEMBL3356516 0.88 GRM4 (0.35) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3356647 0.88 GRM4 (0.35) NPC1RAB9AMEN1KMT2AGRM4
SCHEMBL3354402 0.84 GRM4 (0.44) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL3356660 0.81 RAB9A (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL370608 0.78 NPC1 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3359649 0.78 KDR (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3360051 0.77 RAB9A (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3355817 0.77 ALDH1A1 (0.41) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3355680 0.68 GRM4 (0.38) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL3357491 0.67 GRM4 (0.38) NPC1RAB9AMEN1KMT2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 NPC1 2378/4885RAB9A 2813/4885MEN1 3884/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPC1 2504/4885RAB9A 3067/4885MEN1 3722/4885

“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.