SCHEMBL2311534

SCHEMBL2311534

Cc1cc(-c2ccccc2F)cc(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
MBNL1 Q9NR56 1/20 0.39
ACHE P22303 1/20 0.39
MAP4K4 O95819 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
CD44 P16070 1/20 0.36
ERN1 O75460 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2313334 0.80 CD44 (0.42) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL23040370 0.80 TNKS (0.49) TNKSTNKS2BACE1ALDH1A1TSHR
SCHEMBL13349699 0.79 TNKS (0.40) TNKSTNKS2BACE1ALDH1A1CYP3A4
SCHEMBL2311209 0.78 TRPA1 (0.51) BACE1PTPN1ALOX5APFEN1
SCHEMBL2909376 0.77 HSD17B10 (0.41) TNKSTNKS2ALDH1A1CYP3A4TSHR
SCHEMBL1337677 0.77 FEN1 (0.47) TNKSTNKS2BACE1ALDH1A1MAP4K4
SCHEMBL1918559 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL10987129 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL2815253 0.73 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL28116695 0.73 PTPRC (0.54) TNKSTNKS2BACE1ALDH1A1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349256-B1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
EP-2349256-B1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
EP-2349256-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS Janssen Pharmaceutica NV (BE) 2011-08-03 EP disclosed
WO-2010045166-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045166-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS TRPM8, TRPV1, TRPM6 TNKS 1627/4885TNKS2 1916/4885BACE1 4030/4885

“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.