SCHEMBL1463556

SCHEMBL1463556

Cc1cc(C#N)ccc1-c1ccc2[nH]c(-c3cnccc3C)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.61
CYP11B2 P19099 3/20 0.61
CYP19A1 P11511 2/20 0.53
CLK2 P49760 3/20 0.47
CLK3 P49761 3/20 0.47
DYRK1A Q13627 3/20 0.47
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
ABL1 P00519 2/20 0.43
SLC22A12 Q96S37 1/20 0.41
MMP13 P45452 1/20 0.41
CHUK O15111 1/20 0.41
VCP P55072 1/20 0.38
ITK Q08881 1/20 0.38
CYP17A1 P05093 1/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
WNT1 P04628 1/20 0.37

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
SCHEMBL1463580 0.91 CYP19A1 (0.53) CYP11B1CYP11B2CYP19A1CLK2CLK3
SCHEMBL12745937 0.89 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CLK2CLK3
SCHEMBL1461024 0.87 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1CDK5CDK5R1
SCHEMBL1460163 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CLK2CLK3
SCHEMBL12826293 0.83 CLK2 (0.49) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1463753 0.82 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CLK2CLK3
SCHEMBL1459224 0.82 CYP19A1 (0.42) CYP11B1CYP11B2CYP19A1CDK5CDK5R1
SCHEMBL1463139 0.81 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1CDK5CDK5R1
SCHEMBL1460198 0.81 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1CDK5CDK5R1
SCHEMBL1460303 0.81 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1CDK5CDK5R1

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 CYP11B1 947/4885CYP11B2 977/4885CYP19A1 1576/4885

“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.