SCHEMBL2654636

SCHEMBL2654636

CCN(CC)Cc1ccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.41
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
MET P08581 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
IDO1 P14902 1/20 0.36
AKT1 P31749 2/20 0.35
SRC P12931 3/20 0.34
PIK3CD O00329 1/20 0.33
PDPK1 O15530 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KDR P35968 1/20 0.33
EED O75530 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
Trifluoroacetic Acid SCHEMBL2660115 0.92 SLC2A1 (0.36) FGFR1ACHEBACE1
SCHEMBL2656885 0.90 FGFR1 (0.42) FGFR1ACHEMETCD274SRC
SCHEMBL2654098 0.86 FGFR1 (0.42) FGFR1METAKT1SRCPIK3CD
SCHEMBL2654894 0.84 FGFR1 (0.44) FGFR1METSRCKDR
Trifluoroacetic Acid SCHEMBL3537556 0.83 FGFR1 (0.36) FGFR1ACHEBACE1METPIK3CD
SCHEMBL2654072 0.82 MAPT (0.40) FGFR1METAKT1SRCPIK3CD
SCHEMBL2654102 0.81 FGFR1 (0.47) FGFR1METSRC
SCHEMBL2654014 0.81 KDR (0.54) FGFR1SRCKDR
SCHEMBL2654084 0.80 CYP19A1 (0.43) FGFR1METSRC
SCHEMBL2656918 0.79 FGFR1 (0.42) FGFR1METSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US claimed
JP-2007509108-A 2007-04-12 JP claimed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US claimed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP claimed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO claimed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 FGFR1 2259/4885ACHE 1743/4885BACE1 1909/4885

“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.