SCHEMBL2120644

SCHEMBL2120644

N#Cc1cccc(-n2nnc(-c3ccc(Cl)nc3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.67
CHRNA5 P30532 2/20 0.67
CHRNA4 P43681 2/20 0.67
GRM5 P41594 5/20 0.59
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44

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
Hydrochloric Acid SCHEMBL3719278 0.99 CHRNB2 (0.66) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL2120828 0.86 CHRNB2 (0.67) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL2118901 0.86 GRM5 (0.59) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL2122956 0.81 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL2120622 0.81 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL2120756 0.76 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL1847996 0.76 GRM5 (0.60) GRM5MAPT
SCHEMBL2040551 0.76 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL4699227 0.75 GRM5 (0.74) CHRNB2CHRNA5CHRNA4GRM5
SCHEMBL4699177 0.75 GRM5 (0.67) CHRNB2CHRNA5CHRNA4GRM5

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-20120095056-A1 2,5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-04-19 US claimed
WO-2010106106-A1 2, 5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-09-23 WO claimed
US-20120095056-A1 2,5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-04-19 US disclosed
WO-2010106106-A1 2, 5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-09-23 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 (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-20120095056-A1 2,5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA5, CHRNA2, CHRNA7 CHRNB2 8/4885CHRNA5 1/4885CHRNA4 6/4885

“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.