SCHEMBL2260858

SCHEMBL2260858

NCc1c(-c2ccc(O)cc2)nnn1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
MAPK1 P28482 2/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
GABRB3 P28472 9/20 0.38
MARS1 P56192 1/20 0.37
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.35
USP7 Q93009 1/20 0.34
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2262308 0.90 GABRB3 (0.42) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL549152 0.86 GABRA2 (0.58) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL2260964 0.86 POLB (0.44) GABRA2GABRB2GABRB3MEN1KMT2A
SCHEMBL1550851 0.83 GABRA2 (0.43) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL2261831 0.78 GABRB3 (0.42) GABRA2GABRB2GABRB3MEN1KMT2A
SCHEMBL1551160 0.75 RAB9A (0.42) GABRA2GABRB2GABRB3MEN1KMT2A
SCHEMBL18321922 0.75 GABRA2 (0.46) GABRA2GABRB2GABRB3MARS1
SCHEMBL548243 0.73 GABRA2 (0.47) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL20249062 0.73 GABRA2 (0.44) GABRA2GABRB2GABRB3MARS1MAPT
SCHEMBL548181 0.72 POLB (0.59) GABRA2GABRB2GABRB3MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201656-A1 NOVEL DIPHENYL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-18 US claimed
US-20110201656-A1 NOVEL DIPHENYL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-18 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 (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-20110201656-A1 NOVEL DIPHENYL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 GABRA2 331/4885GABRB2 326/4885MAPK1 1229/4885

“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.