SCHEMBL1459489

SCHEMBL1459489

Cn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
VCP P55072 1/20 0.37
CYP11B2 P19099 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
SCHEMBL1460011 0.90 NPY5R (0.44) CYP19A1MMP2MMP13MMP14
SCHEMBL1459230 0.88 CYP19A1 (0.47) CYP19A1CYP11B1MMP2MMP13MMP14
SCHEMBL1459557 0.86 FFAR1 (0.42) CYP19A1MMP2MMP13MMP14
SCHEMBL1460856 0.86 CYP19A1 (0.41) ROS1CYP19A1MMP2MMP13MMP14
SCHEMBL1459161 0.86 CYP19A1 (0.43) CYP19A1MMP2MMP13MMP14
SCHEMBL1459960 0.84 HCRTR1 (0.38) HCRTR1HCRTR2MAPK14VCP
SCHEMBL1460837 0.84 CYP19A1 (0.41) CYP19A1MMP2MMP13MMP14
SCHEMBL1463641 0.83 NPY5R (0.45) CYP19A1MMP2MMP13MMP14
SCHEMBL1459773 0.83 CYP19A1 (0.43) CYP19A1MMP2MMP13MMP14
SCHEMBL1459631 0.79 HSD11B1 (0.39)

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 11 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 claimed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
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
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
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 ROS1 1543/4885HCRTR1 329/4885HCRTR2 239/4885

“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.