SCHEMBL1458976

SCHEMBL1458976

Cn1nc(-c2cncnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.43
PTGES O14684 8/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B2 P37059 1/20 0.34
CACNA1B Q00975 1/20 0.34
PDE10A Q9Y233 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPK14 Q16539 2/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
Tert-Butyl Formate SCHEMBL28799281 0.91 ORAI1 (0.39) ORAI1PTGESNR1H2NR1H3CYP2C9
SCHEMBL1459967 0.91 ORAI1 (0.40) ORAI1PTGESNR1H2NR1H3CYP2C9
SCHEMBL1459942 0.83 CYP19A1 (0.41) NR1H2NR1H3HSD17B2PDE10AMAPK14
SCHEMBL1459585 0.83 GRM5 (0.41) ORAI1PTGESNR1H2NR1H3CYP2C9
SCHEMBL1459830 0.79 NR1H3 (0.40) ORAI1PTGESNR1H2NR1H3CYP2C9
SCHEMBL1461086 0.78 ORAI1 (0.43) ORAI1PTGESNR1H2NR1H3FFAR1
SCHEMBL1460001 0.77 ORAI1 (0.41) ORAI1PTGESCYP2C9CYP2D6CACNA1B
Cyanide SCHEMBL27862347 0.76 ORAI1 (0.49) ORAI1PTGESCYP2C9CYP2D6FFAR1
SCHEMBL1463724 0.76 NR1H2 (0.35) PTGESNR1H2NR1H3HSD17B2PDE10A
SCHEMBL28799279 0.76 PTGES (0.33) ORAI1PTGESCYP2C9CYP2D6MAPK14

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 ORAI1 1/4885PTGES 963/4885NR1H2 712/4885

“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.