SCHEMBL1460902

SCHEMBL1460902

Cc1cc(C#N)ccc1-c1ccc2[nH]c(-c3ccc(F)cc3F)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP1A1 P04798 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.43
PPARG P37231 1/20 0.43
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CNR2 P34972 1/20 0.38
VCP P55072 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL1461109 0.89 CYP19A1 (0.51) CYP19A1CYP1A1FFAR1PPARGPDE3B
SCHEMBL1461024 0.88 CYP19A1 (0.54) CYP19A1CYP1A1FFAR1PPARGCDK5
SCHEMBL1459870 0.85 CYP19A1 (0.40) CYP19A1PDE3BPDE3ASCN10ACDK5
SCHEMBL1459615 0.84 CYP19A1 (0.48) CYP19A1CYP1A1PDE3BPDE3ASCN10A
SCHEMBL12825455 0.82 CYP1A1 (0.53) CYP1A1MEN1ALDH1A1THRBHPGD
SCHEMBL1461160 0.82 CYP19A1 (0.43) CYP19A1CYP1A1FFAR1PPARGPDE3B
SCHEMBL1460198 0.81 CYP19A1 (0.47) CYP19A1FFAR1PPARGCDK5CDK5R1
SCHEMBL1460022 0.81 CYP19A1 (0.45) CYP19A1CYP1A1FFAR1PPARGPDE3B
SCHEMBL1460936 0.81 CYP19A1 (0.42) CYP19A1CYP1A1MEN1KMT2APDE3B
SCHEMBL1463717 0.81 CYP19A1 (0.46) CYP19A1FFAR1CDK5CDK5R1VCP

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
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP 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 CYP19A1 1576/4885CYP1A1 971/4885MEN1 1809/4885

“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.