SCHEMBL2453772

SCHEMBL2453772

Cc1ncn(-c2ccc(Nc3cccn4cc(-c5ccccc5C)nc34)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.44
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
JUN P05412 2/20 0.41
MAPK8 P45983 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL2456340 0.87 PSEN1 (0.45) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL2453284 0.87 PSEN1 (0.41) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL2453834 0.87 NPC1 (0.38) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL2453620 0.86 MAPK10 (0.39) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL2454631 0.85 PSEN1 (0.51) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL2460620 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2451094 0.77 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2454920 0.77 PSEN1 (0.55) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL2453857 0.76 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2458644 0.75 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379552-B1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-02-26 EP 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

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 MAPK10 4312/4885PSEN1 3/4885PSEN2 4/4885

“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.