SCHEMBL13835012

SCHEMBL13835012

Cn1nc(Nc2ccc(-c3ccncc3)cc2)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.48
APP P05067 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
SLC2A1 P11166 1/20 0.43
IDH2 P48735 2/20 0.42
GSK3B P49841 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
CTSC P53634 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
EPHX2 P34913 1/20 0.41
CFTR P13569 1/20 0.41
PIKFYVE Q9Y2I7 1/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL13835371 0.89 PSEN1 (0.49) KITBRD4CREBBPSLC2A1GSK3B
SCHEMBL13834749 0.89 SYK (0.46) KITBRD4CREBBPSLC2A1GSK3B
SCHEMBL13835576 0.79 PSEN1 (0.51) KITGSK3B
SCHEMBL2150843 0.77 PSEN1 (0.64) KITGSK3BABCG2PLK1PLK3
SCHEMBL13835171 0.77 PSEN1 (0.45) GSK3BMAPKAPK2
SCHEMBL13835188 0.72 PSEN1 (0.65)
SCHEMBL3194509 0.72 JAK2 (0.60) CTSC
SCHEMBL827669 0.72 IDH2 (0.47) IDH2CTSCABCG2
SCHEMBL827744 0.72 MAPT (0.47) APPIDH2CTSCABCG2
SCHEMBL6915245 0.72 KDM4E (0.48) BRD4

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-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 US disclosed
EP-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
CN-102906083-A Novel substituted triazole derivatives as gamma secretase modulators ORTHO MCNEIL JANSSEN PHARM 2013-01-30 CN disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 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-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KIT 1789/4885APP 9/4885NPC1 771/4885

“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.