SCHEMBL417451

SCHEMBL417451

Cc1ncn(-c2ccc(Nc3cccc4c3nc(C)n4Cc3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.43
TNF P01375 1/20 0.43
MAPK8 P45983 2/20 0.40
JUN P05412 2/20 0.40
HTR6 P50406 2/20 0.40
BRD4 O60885 2/20 0.39
DHFR P00374 1/20 0.39
CYP3A4 P08684 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 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
SCHEMBL416014 0.81 MAPK10 (0.46) MAPK10MAPK8JUNPSEN1PSEN2
SCHEMBL416502 0.78 PSEN1 (0.43) MAPK10MAPK8JUNPSEN1PSEN2
SCHEMBL416395 0.74 PSEN1 (0.46) MAPK10MAPK8JUNCYP3A4PSEN1
SCHEMBL414849 0.73 PSEN1 (0.62) MAPK10MAPK8JUNCYP3A4PSEN1
SCHEMBL416391 0.71 PSEN1 (0.56) MAPK10MAPK8JUNCYP3A4PSEN1
SCHEMBL414793 0.71 PSEN1 (0.48) MAPK10MAPK8JUNCYP3A4PSEN1
SCHEMBL414718 0.70 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416265 0.70 PSEN1 (0.60) MAPK10MAPK8JUNCYP3A4PSEN1
SCHEMBL26921289 0.69 TNF (0.50) TNFHTR6BRD4KDM4EALDH1A1
SCHEMBL416273 0.69 PSEN1 (0.48) MAPK10MAPK8JUNPSEN1PSEN2

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-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
EP-2398793-B1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-12-18 EP 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 MAPK10 4737/4885TNF 3131/4885MAPK8 4354/4885

“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.