SCHEMBL12306384

SCHEMBL12306384

Fc1ccc(-c2nc3c(Br)cccn3c2I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
ALOX5 P09917 1/20 0.40
CSNK1E P49674 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
MAPK13 O15264 1/20 0.39
GCGR P47871 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
RAD51 Q06609 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 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
SCHEMBL5739027 0.84 SMN1; SMN2 (0.45) AKT1AKT2ALOX5CSNK1EALDH1A1
SCHEMBL7893129 0.82 AKT1 (0.41) AKT1AKT2ALOX5CSNK1EALDH1A1
SCHEMBL7894902 0.78 AKT1 (0.40) AKT1AKT2ALOX5ALDH1A1RAD51
SCHEMBL7896304 0.78 ALDH1A1 (0.63) AKT1AKT2ALOX5CSNK1EALDH1A1
SCHEMBL7893227 0.78 AKT1 (0.39) AKT1AKT2ALOX5CSNK1EALDH1A1
SCHEMBL7894246 0.78 ALOX5 (0.40) AKT1AKT2ALOX5CSNK1EALDH1A1
SCHEMBL1936595 0.77 MEN1 (0.43) AKT1AKT2ALOX5ALDH1A1KDM4E
SCHEMBL7892512 0.75 SLC2A1 (0.41) AKT1AKT2ALOX5CSNK1EALDH1A1
SCHEMBL5407921 0.75 ATP4A (0.52) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL22615058 0.75 ALDH1A1 (0.62) ALDH1A1MAPK13MAPK12MAPK11MAPK14

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
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 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-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AKT1 701/4885AKT2 1054/4885ALOX5 4421/4885

“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.