SCHEMBL3356516

SCHEMBL3356516

Cc1n[nH]cc1-c1nsc(Nc2cccc(Cl)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GRM5 P41594 1/20 0.32
XPO1 O14980 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL3358809 0.88 NPC1 (0.40) GRM4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3356647 0.86 GRM4 (0.35) GRM4TRPV4MEN1KMT2ANPC1
SCHEMBL3354402 0.82 GRM4 (0.44) GRM4LMNASMN1; SMN2TRPV4MEN1
SCHEMBL3355817 0.80 ALDH1A1 (0.41) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3356660 0.79 RAB9A (0.56) LMNASMN1; SMN2TRPV4MEN1KMT2A
SCHEMBL3359646 0.76 GRM4 (0.41) GRM4EGFRERBB3LMNASMN1; SMN2
SCHEMBL3360051 0.75 RAB9A (0.41) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3355680 0.66 GRM4 (0.38) GRM4LMNASMN1; SMN2TRPV4MEN1
SCHEMBL3359649 0.66 KDR (0.45) GRM4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL370608 0.66 NPC1 (0.61) GRM4LMNASMN1; SMN2TRPV4MEN1

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 GRM4 2/4885EGFR 973/4885ERBB3 368/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 GRM4 2/4885EGFR 774/4885ERBB3 338/4885

“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.