SCHEMBL15020527

SCHEMBL15020527

CCCCCc1ccc2[nH]c(CCCCC)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GHSR Q92847 3/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
GPR84 Q9NQS5 4/20 0.41
NPY5R Q15761 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15020711 0.74 FGFR1 (0.53) KCNH2GPR84NPY5RKMT2A
SCHEMBL15020994 0.74 CTSV (0.40) GHSRCTSVCTSLGPR84NPY5R
SCHEMBL26048631 0.72 KCNH2 (0.50) KCNH2
SCHEMBL1461108 0.71 GHSR (0.47) GHSRCTSVCTSLGPR84KMT2A
SCHEMBL15750980 0.71 KDM5A (0.38) GHSRNPY5RKMT2A
SCHEMBL369110 0.70 CTSV (0.60) CTSVCTSL
SCHEMBL17426182 0.70 CTSV (0.60) GHSRCTSVCTSLGPR84
SCHEMBL30382957 0.70 CTSV (0.60) CTSVCTSL
SCHEMBL14893206 0.70 HTR1A (0.44) GHSRKMT2A
SCHEMBL9278047 0.70 GPR84 (0.50) GHSRCTSVCTSLGPR84KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092444-A1 DIAZAINDOLE 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
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20130158049-A1 7-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-20130158040-A1 DIAZAINDOLE 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 (3 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-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC ORAI2, ORAI1, RYR2 KCNH2 49/4885GHSR 2801/4885CTSV 2865/4885
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 KCNH2 84/4885GHSR 3132/4885CTSV 3273/4885
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 KCNH2 82/4885GHSR 3135/4885CTSV 2962/4885

“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.