SCHEMBL1460041

SCHEMBL1460041

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccncc3F)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CNR1 P21554 1/20 0.37
CYP2C19 P33261 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
SCN9A Q15858 9/20 0.36
MMP13 P45452 1/20 0.35
CDC7 O00311 2/20 0.35
IDO1 P14902 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL1460270 0.90 MMP13 (0.43) CYP2C9CNR1CYP2C19SCN9AMMP13
SCHEMBL1460337 0.89 CLK2 (0.40) MMP13IDO1PTGDR2
SCHEMBL1463137 0.87 STIM1 (0.40) AAK1CDC7
SCHEMBL1460149 0.82 TRPA1 (0.37) SCN9APTGDR2
SCHEMBL1460105 0.79 LOXL2 (0.36) CYP3A4CYP2C9CYP2C19SCN9APTGDR2
SCHEMBL1458835 0.78 SCN9A (0.38) SCN9APTGDR2
SCHEMBL1460192 0.78 LOXL2 (0.38) SCN9AMMP13PTGDR2
SCHEMBL1459964 0.77 PTGDR2 (0.36) SCN9AMMP13PTGDR2
SCHEMBL1463427 0.77 MMP13 (0.41) MMP13
SCHEMBL1460017 0.77 ALOX5 (0.38)

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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO 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 (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 CYP3A4 1339/4885CYP2C9 2005/4885CNR1 75/4885

“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.