SCHEMBL1359545

SCHEMBL1359545

Cc1ncc(-c2ccc(Nc3cccn4c(C)c(-c5ccccc5Cl)nc34)cc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
GAA P10253 7/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL1360778 0.89 DHODH (0.39) ATMNPC1RAB9APSEN1PSEN2
SCHEMBL1360191 0.80 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7895606 0.76 PKM (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418144 0.75 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360131 0.74 PKM (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2453258 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418220 0.73 ALDH1A1 (0.42) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL1360144 0.73 PKM (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418152 0.72 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418153 0.71 PSEN1 (0.53) 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
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 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 (2 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ATM 4727/4885NPC1 812/4885RAB9A 3011/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ATM 4727/4885NPC1 812/4885RAB9A 3011/4885

“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.