SCHEMBL3356535

SCHEMBL3356535

Cc1sc(Nc2ncccc2F)nc1-c1cn[nH]c1.N#Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.68
GRM8 O00222 1/20 0.46
KCNH2 Q12809 3/20 0.43
KDR P35968 2/20 0.37
FYN P06241 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
AURKB Q96GD4 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL369009 0.86 GRM4 (0.67) GRM4GRM8KCNH2KDRAURKB
SCHEMBL366105 0.86 GRM4 (0.70) GRM4GRM8KCNH2KDRFYN
SCHEMBL369152 0.83 GRM4 (1.00) GRM4GRM8KCNH2KDRFYN
SCHEMBL367293 0.79 GRM4 (0.63) GRM4GRM8KCNH2ADORA3ADORA2A
SCHEMBL371256 0.76 GRM4 (0.59) GRM4GRM8KCNH2KDRADORA3
SCHEMBL369379 0.75 GRM4 (0.82) GRM4GRM8KCNH2KDRFYN
SCHEMBL367234 0.75 GRM4 (0.74) GRM4GRM8KCNH2KDRFYN
SCHEMBL370545 0.74 GRM4 (0.67) GRM4GRM8KCNH2KDRAURKB
SCHEMBL367907 0.73 GRM4 (0.65) GRM4GRM8KCNH2KDRAURKB
SCHEMBL369761 0.72 GRM4 (0.70) GRM4GRM8KCNH2KDRFYN

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 1 patent. 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

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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 GRM4 2/4885GRM8 24/4885KCNH2 1695/4885

“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.