SCHEMBL1460055

SCHEMBL1460055

CCc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.39
PTGES O14684 3/20 0.37
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 2/20 0.34
PIEZO1 Q92508 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
NPY5R Q15761 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TEK Q02763 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
TERT O14746 1/20 0.30
ROCK2 O75116 1/20 0.30
WNT1 P04628 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL12826294 0.90 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1PIM1PIM3
SCHEMBL1459644 0.89 ORAI1 (0.41) ORAI1PTGESCYP1A1CYP1A2CYP1B1
SCHEMBL1458937 0.88 MAPT (0.39) ORAI1PTGESCYP1A1CYP1A2CYP1B1
SCHEMBL1459713 0.87 ORAI1 (0.38) ORAI1PTGESCYP1A1CYP1A2CYP1B1
SCHEMBL1459992 0.82 HTT (0.38) ORAI1CYP1A1CYP1A2CYP1B1PIM1
SCHEMBL1459744 0.82 KDM4E (0.42) CYP1A1CYP1A2CYP1B1NPC1ALDH1A1
SCHEMBL15020552 0.79 ORAI1 (0.53) ORAI1PTGESCYP1A1CYP1A2CYP1B1
SCHEMBL1459769 0.77 ORAI1 (0.38) ORAI1PTGESPIEZO1NPC1ALDH1A1
SCHEMBL1460075 0.77 ORAI1 (0.39) ORAI1PTGESPIEZO1NPC1ALDH1A1
SCHEMBL1459815 0.77 ORAI1 (0.40) ORAI1PTGESALDH1A1NPY5RMAPK14

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
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
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 963/4885CYP1A1 971/4885

“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.