SCHEMBL1463715

SCHEMBL1463715

Cc1cc(C#N)ccc1-c1ccc2[nH]c(-c3sccc3C)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
VCP P55072 2/20 0.35
PTGS1 P23219 1/20 0.34
ITK Q08881 2/20 0.34
SCN9A Q15858 1/20 0.34
CHEK1 O14757 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
EIF4E P06730 1/20 0.33
FFAR1 O14842 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
SCHEMBL1461024 0.85 CYP19A1 (0.54) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL1460023 0.83 CYP19A1 (0.44) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL12826292 0.82 KDM4E (0.40) FFAR1
SCHEMBL1463717 0.81 CYP19A1 (0.46) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL1463691 0.80 CYP19A1 (0.36) CYP19A1CDK5CDK5R1
SCHEMBL1460198 0.79 CYP19A1 (0.47) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL1461109 0.77 CYP19A1 (0.51) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL1460902 0.77 CYP19A1 (0.45) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL1459725 0.77 CYP19A1 (0.51) CYP19A1CDK5CDK5R1CYP11B1CYP11B2
SCHEMBL1459615 0.77 CYP19A1 (0.48) CYP19A1CDK5CDK5R1CYP11B1CYP11B2

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 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 CYP19A1 1576/4885CDK5 600/4885CDK5R1 419/4885

“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.