SCHEMBL1460039

SCHEMBL1460039

CCn1nc(-c2cnccn2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ KLK3 P07288 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ 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
SCHEMBL12744791 0.75 CYP2C9 (0.54) CYP2C9CYP2C19CYP2D6CYP19A1TSHR
SCHEMBL14844403 0.73 KLK3 (0.34) TRPM8KLK3CYP2C9CYP2C19CYP2D6
SCHEMBL5174261 0.70 CYP2D6 (0.41) CYP2C9CYP2C19CYP2D6CYP19A1PIM1
SCHEMBL1460033 0.69 KLK3 (0.32) KLK3CYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL28120845 0.68 TRPM8 (0.42) TRPM8CYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL78566 0.67 NISCH (0.50) CYP2C9CYP2C19CYP2D6CYP19A1TSHR
SCHEMBL29598957 0.67 NISCH (0.50) CYP2C9CYP2C19CYP2D6CYP19A1TSHR
SCHEMBL29454745 0.67 NISCH (0.50) CYP2C9CYP2C19CYP2D6CYP19A1TSHR
SCHEMBL23400704 0.67 MEN1 (0.49) CYP2C9CYP2C19TSHRALDH1A1HDAC3
SCHEMBL14557175 0.66 PIM1 (0.37) KLK3CYP2C9CYP2C19CYP2D6CYP19A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
WO-2013092444-A1 DIAZAINDOLE 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
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
US-20130158040-A1 DIAZAINDOLE 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
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 — — US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 — — WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 — — US disclosed
WO-2013050341-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 — — WO disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN disclosed
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
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 (4 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 TRPM8 72/4885KLK3 4712/4885CYP2C9 2005/4885
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC ORAI2, ORAI1, RYR2 TRPM8 155/4885KLK3 4630/4885CYP2C9 2999/4885
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 TRPM8 198/4885KLK3 4736/4885CYP2C9 3333/4885
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 TRPM8 62/4885KLK3 4339/4885CYP2C9 1361/4885

“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.

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