SCHEMBL12745321

SCHEMBL12745321

Cn1nc(-c2ccccn2)cc1-c1ccc2[nH]c(-c3cccc(F)c3F)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
GRM5 P41594 3/20 0.35
CBFB Q13951 1/20 0.34
HTR2A P28223 1/20 0.34
CDC7 O00311 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL1460819 0.85 FFAR1 (0.39) HTR2CGRM5CBFB
SCHEMBL1460837 0.84 CYP19A1 (0.41)
SCHEMBL1459960 0.84 HCRTR1 (0.38) GRM5CBFBHCRTR1HCRTR2
SCHEMBL1458803 0.83 HCRTR1 (0.37) GRM5CBFBHCRTR1HCRTR2
SCHEMBL1460276 0.78 MMP13 (0.36) HTR2CCBFB
SCHEMBL1459161 0.78 CYP19A1 (0.43) CDC7
SCHEMBL1459544 0.77 HTR2C (0.47) HTR2CGRM5CBFBHTR2A
SCHEMBL1459683 0.75 CSNK1D (0.38)
SCHEMBL1463443 0.74 STIM1 (0.44) CDC7
SCHEMBL1463484 0.73 MMP2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E HTR2C 164/4885GRM5 545/4885CBFB 1389/4885

“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.