SCHEMBL414551

SCHEMBL414551

Cc1ncn(-c2ccc(Nc3cccc4oc(CC(C)C)nc34)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
PCSK9 Q8NBP7 1/20 0.41
MAPK10 P53779 8/20 0.36
KCNH2 Q12809 1/20 0.35
EP300 Q09472 1/20 0.34
MAPK8 P45983 3/20 0.33
JUN P05412 2/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL415487 0.75 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL412563 0.70 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416014 0.64 MAPK10 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416502 0.64 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2453834 0.64 NPC1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2456523 0.62 MAPK10 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7876244 0.62 ELANE (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416395 0.61 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2460491 0.61 ABL1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL417451 0.59 MAPK10 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 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-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP PSEN1 4/4885PSEN2 6/4885APH1B 13/4885

“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.