SCHEMBL15021819

SCHEMBL15021819

Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.42
▸ STIM1 Q13586 2/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ NPY5R Q15761 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL15751197 0.94 TRPV3 (0.39) TRPV3STIM1ORAI1NPY5RPDE5A
SCHEMBL15021817 0.93 TRPV3 (0.39) TRPV3STIM1ORAI1NPY5RPDE5A
SCHEMBL15750941 0.89 TRPV3 (0.42) TRPV3STIM1ORAI1PDE5AKDM5B
SCHEMBL15751045 0.88 TRPV3 (0.41) TRPV3STIM1ORAI1NPY5RPDE5A
SCHEMBL15750938 0.87 TRPV3 (0.41) TRPV3STIM1ORAI1PDE5AKDM5B
SCHEMBL15750928 0.85 TRPV3 (0.35) TRPV3STIM1ORAI1KDM5BGRM4
SCHEMBL15751005 0.84 PTGS1 (0.40) TRPV3NPY5RKDM5BGRM4RAB9A
SCHEMBL15751165 0.84 GABRA1 (0.40) TRPV3STIM1ORAI1PDE5AGRM4
SCHEMBL15750977 0.83 TRPV3 (0.42) TRPV3STIM1ORAI1KDM5BRAB9A
SCHEMBL15751092 0.83 ORAI1 (0.45) TRPV3STIM1ORAI1NPY5RPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US claimed
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
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
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 143/4885STIM1 33/4885ORAI1 1/4885

“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