SCHEMBL15033683

SCHEMBL15033683

Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ NPY5R Q15761 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ RIPK2 O43353 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
SCHEMBL15022718 0.89 TRPV3 (0.38) TRPV3PTGS2PTGS1KDM4EALDH1A1
SCHEMBL15751164 0.88 PTGS1 (0.39) TRPV3PTGS2PTGS1NPY5RALDH1A1
SCHEMBL15751090 0.88 TRPV3 (0.38) TRPV3PTGS2PTGS1KDM4EALDH1A1
SCHEMBL15750938 0.87 TRPV3 (0.41) TRPV3PTGS2PTGS1KDM4EALDH1A1
SCHEMBL15750923 0.86 GABRA1 (0.41) TRPV3KDM4EALDH1A1MEN1KMT2A
SCHEMBL15751082 0.86 ALDH1A1 (0.44) TRPV3PTGS2KDM4EALDH1A1MEN1
SCHEMBL15021817 0.85 TRPV3 (0.39) TRPV3PTGS2PTGS1NPY5RKDM4E
SCHEMBL15750979 0.85 TRPV3 (0.43) TRPV3PTGS2KDM4EALDH1A1NPC1
SCHEMBL15750928 0.85 TRPV3 (0.35) TRPV3PTGS2PTGS1NPC1RAB9A
SCHEMBL15751005 0.85 PTGS1 (0.40) TRPV3PTGS2PTGS1NPY5RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738172-A1 New bicyclic compounds as crac channel modulators Almirall, S.A. (ES) 2014-06-04 — — EP disclosed
WO-2013092463-A1 4-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — 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-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 TRPV3 143/4885PTGS2 154/4885PTGS1 368/4885

“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.

Send feedback