SCHEMBL1460073

SCHEMBL1460073

Cc1c(-c2c(F)cccc2F)[nH]c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
PTGS2 P35354 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
ALOX5 P09917 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MAPK1 P28482 2/20 0.41
PTGES O14684 3/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
CCNE2 O96020 1/20 0.39

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
SCHEMBL1460223 0.84 CDK1 (0.46) ARPTGS2LMNAHPGDALOX5
SCHEMBL1460051 0.76 F2 (0.58) PTGS2LMNAHPGDCDK2MEN1
SCHEMBL28785549 0.74 AR (0.66) ARLMNAHPGDCDK5CDK5R1
SCHEMBL10602830 0.73 ALOX5 (0.66) ARPTGS2LMNAHPGDALOX5
SCHEMBL903498 0.72 AR (0.50) ARLMNAHPGDALOX5GSK3A
SCHEMBL1459158 0.72 TLR9 (0.36) HPGDMAPT
SCHEMBL28714839 0.71 GABRP (0.48) ARLMNAHPGDGSK3AGSK3B
SCHEMBL30547021 0.71 HPGD (0.55) ARLMNAHPGDMAPK1HTR2A
SCHEMBL410289 0.71 HPGD (0.55) ARLMNAHPGDMAPK1HTR2A
SCHEMBL1606346 0.70 CYP11B1 (0.69) GSK3AGSK3BCDK5CDK5R1MAPK1

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
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 AR 664/4885PTGS2 876/4885LMNA 2616/4885

“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.