SCHEMBL2391955

SCHEMBL2391955

N#Cc1cccc(-c2cn(-c3cccc(C#N)c3)nn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.67
NOTUM Q6P988 1/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
KEAP1 Q14145 7/20 0.52
NFE2L2 Q16236 7/20 0.52
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
FLT3 P36888 1/20 0.48
GSK3B P49841 1/20 0.48
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA1 P14867 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL2398328 0.87 GRM5 (0.62) GRM5NOTUMCA12CA1CA2
SCHEMBL2394342 0.87 GRM5 (0.56) GRM5NOTUMCA12CA1CA2
SCHEMBL28414073 0.83 GRM5 (0.58) GRM5NOTUMCA12CA1CA2
SCHEMBL29657622 0.83 GRM5 (0.58) GRM5NOTUMCA12CA1CA2
SCHEMBL1847996 0.82 GRM5 (0.60) GRM5NOTUMCA12CA1CA2
SCHEMBL5201985 0.81 GRM5 (1.00) GRM5NOTUMCA12CA1CA2
SCHEMBL5201644 0.80 GRM5 (0.67) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL19700914 0.79 HDAC2 (0.48) GRM5NOTUMGABRG2GABRB3GABRA5
SCHEMBL29946187 0.78 STIM1 (0.68) GRM5NOTUMCA12CA1CA2
SCHEMBL26628279 0.78 STIM1 (0.68) GRM5NOTUMCA12CA1CA2

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-20110212999-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-09-01 US claimed
CN-102131797-A Triazole derivatives and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS 2011-07-20 CN claimed
EP-2324007-B1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2012-08-15 EP disclosed
US-20110212999-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-09-01 US disclosed
CN-102131797-A Triazole derivatives and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS 2011-07-20 CN 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 (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-20110212999-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 GRM5 148/4885NOTUM 935/4885CA12 4138/4885

“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.