SCHEMBL548243

SCHEMBL548243

Nc1c(-c2ccc(O)cc2)nnn1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
MAPK1 P28482 2/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
KIF11 P52732 3/20 0.41
USP7 Q93009 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
TP53 P04637 1/20 0.36
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL548238 0.90 GABRA2 (0.49) GABRA2GABRB2KIF11NPC1RAB9A
SCHEMBL549092 0.88 GABRA2 (0.53) GABRA2GABRB2NPC1RAB9AMEN1
SCHEMBL549152 0.86 GABRA2 (0.58) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL549105 0.84 POLB (0.54) GABRA2GABRB2NPC1RAB9AMAPT
SCHEMBL549131 0.84 GABRA2 (0.45) GABRA2GABRB2MAPK1KIF11NPC1
SCHEMBL548989 0.82 KDM4E (0.43) GABRA2GABRB2KIF11NPC1RAB9A
SCHEMBL549151 0.82 NOTUM (0.46) GABRA2GABRB2NPC1RAB9AMAPT
SCHEMBL549146 0.79 MPL (0.40) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL2258171 0.74 IDO1 (0.40) GABRA2GABRB2NPC1RAB9A
SCHEMBL2262206 0.73 P2RY14 (0.52) KIF11NPC1RAB9AKCNH2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US claimed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US claimed
CN-101796034-A Novel 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2010-08-04 CN claimed
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US disclosed
CN-101796034-A Novel 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2010-08-04 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 GABRA2 291/4885GABRB2 281/4885MAPK1 1208/4885

“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.