SCHEMBL1460163

SCHEMBL1460163

Cc1cc(C#N)ncc1-c1ccc2[nH]c(-c3cnccc3C)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
CLK2 P49760 5/20 0.48
CLK3 P49761 5/20 0.48
DYRK1A Q13627 5/20 0.48
ABL1 P00519 4/20 0.47
CYP19A1 P11511 1/20 0.41
WNT1 P04628 3/20 0.40
MMP13 P45452 1/20 0.39
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CHEK1 O14757 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL1459753 0.89 CYP11B1 (0.46) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1463556 0.83 CYP11B1 (0.61) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1459823 0.83 CLK2 (0.51) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL12825969 0.83 ABL1 (0.60) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1459598 0.81 CYP11B1 (0.51) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1463753 0.81 CYP11B1 (0.48) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1461217 0.80 CYP11B1 (0.46) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL26463640 0.80 CYP11B1 (0.61) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL30494183 0.80 CYP11B1 (0.61) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL1460211 0.80 CLK2 (0.47) CYP11B1CYP11B2CLK2CLK3DYRK1A

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN 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 CYP11B1 947/4885CYP11B2 977/4885CLK2 2020/4885

“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.