SCHEMBL1360164

SCHEMBL1360164

CCOCc1cn2cc(C(F)(F)F)cc(Nc3ccc(-c4ocnc4C)c(OC)c3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 6/20 0.41
IMPDH1 P20839 3/20 0.41
PSEN1 P49768 11/20 0.36
PSEN2 P49810 11/20 0.36
APH1B Q8WW43 11/20 0.36
NCSTN Q92542 11/20 0.36
APH1A Q96BI3 11/20 0.36
PSENEN Q9NZ42 11/20 0.36
GAK O14976 2/20 0.33
EPHB6 O15197 1/20 0.31
RIPK2 O43353 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
EPHA1 P21709 1/20 0.31
EPHA8 P29322 1/20 0.31
TXK P42681 1/20 0.31
COQ8A Q8NI60 1/20 0.31
NLK Q9UBE8 1/20 0.31
CRHR1 P34998 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
SCHEMBL16418199 0.87 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1359516 0.83 IMPDH2 (0.48) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL16418212 0.81 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL16418197 0.80 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1361156 0.78 PSEN1 (0.42) IMPDH2IMPDH1PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL16457012 0.77 PSEN1 (0.41) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1360089 0.74 IMPDH2 (0.40) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1360167 0.73 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL7896461 0.73 IMPDH2 (0.45) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL7896223 0.73 IMPDH2 (0.45) IMPDH2IMPDH1PSEN1PSEN2APH1B

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 IMPDH2 3553/4885IMPDH1 3421/4885PSEN1 5/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A IMPDH2 3553/4885IMPDH1 3421/4885PSEN1 5/4885

“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.