SCHEMBL1463580

SCHEMBL1463580

Cc1cc(C#N)ccc1-c1ccc2[nH]c(-c3ccncc3C)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 3/20 0.52
MMP13 P45452 1/20 0.48
CDK5 Q00535 4/20 0.44
CDK5R1 Q15078 4/20 0.44
CHUK O15111 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
ABL1 P00519 2/20 0.39
ITK Q08881 1/20 0.38
CYP17A1 P05093 1/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL1463556 0.91 CYP11B1 (0.61) CYP19A1CYP11B1CYP11B2MMP13CDK5
SCHEMBL1461024 0.89 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2CDK5CDK5R1
SCHEMBL12825456 0.83 MMP13 (0.51) MMP13HAVCR2CLK2CLK3DYRK1A
SCHEMBL1458947 0.82 MMP13 (0.45) CYP19A1CYP11B1CYP11B2MMP13CDK5
SCHEMBL1463139 0.81 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2CDK5CDK5R1
SCHEMBL1460198 0.81 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2CDK5CDK5R1
SCHEMBL12745937 0.80 CYP11B1 (0.56) CYP19A1CYP11B1CYP11B2MMP13CDK5
SCHEMBL1459224 0.80 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2CDK5CDK5R1
SCHEMBL1463717 0.80 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2CDK5CDK5R1
SCHEMBL1461109 0.79 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2CDK5CDK5R1

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 1576/4885CYP11B1 947/4885CYP11B2 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.