SCHEMBL1463757

SCHEMBL1463757

Cc1cc(-c2ccc3[nH]c(-c4cccnc4C)cc3c2)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
CYP19A1 P11511 3/20 0.40
CYP11B2 P19099 3/20 0.39
TRPA1 O75762 1/20 0.39
ITK Q08881 1/20 0.37
CYP11B1 P15538 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
TGFBR1 P36897 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP1A1 P04798 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PDE9A O76083 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CDK1 P06493 1/20 0.34
KDR P35968 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
SCHEMBL1463139 0.82 CYP19A1 (0.49) PPARGCYP19A1CYP11B2TRPA1ITK
SCHEMBL1463753 0.81 CYP11B1 (0.48) CYP19A1CYP11B2TRPA1CYP11B1CDK5
SCHEMBL1458947 0.81 MMP13 (0.45) CYP19A1CYP11B2TRPA1CYP11B1CDK5
SCHEMBL1461297 0.78 CYP19A1 (0.36) CYP19A1CYP11B2TRPA1CYP11B1EGLN2
SCHEMBL12825459 0.76 PPARG (0.50) PPARGCYP19A1TRPA1ITKLOXL2
SCHEMBL1460027 0.75 TBK1 (0.42) CYP19A1CYP11B2CYP11B1EGLN2CDK5
SCHEMBL1463691 0.73 CYP19A1 (0.36) CYP19A1TRPA1EGLN2CYP1A1CDK5
SCHEMBL694236 0.72 NPC1 (0.51) CYP19A1ITKKDR
SCHEMBL1458774 0.71 PPARG (0.53) PPARGITKLOXL2
SCHEMBL1461217 0.69 CYP11B1 (0.46) CYP19A1CYP11B2CYP11B1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN 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 PPARG 2826/4885CYP19A1 1576/4885CYP11B2 977/4885

“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.