SCHEMBL1360167

SCHEMBL1360167

COc1cc(Nc2cc(C(F)(F)F)nn3cc(C)nc23)ccc1-c1ocnc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.46
IMPDH1 P20839 3/20 0.46
PSEN1 P49768 12/20 0.37
PSEN2 P49810 12/20 0.37
APH1B Q8WW43 12/20 0.37
NCSTN Q92542 12/20 0.37
APH1A Q96BI3 12/20 0.37
PSENEN Q9NZ42 12/20 0.37
GAK O14976 1/20 0.34
GRM8 O00222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TACR1 P25103 1/20 0.33
GRM7 Q14831 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.84 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1360147 0.82 PSEN1 (0.43) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL16418197 0.79 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL2455975 0.77 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360585 0.77 IMPDH2 (0.44) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1359516 0.75 IMPDH2 (0.48) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1360988 0.74 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL1360164 0.73 IMPDH2 (0.41) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL16418212 0.73 IMPDH2 (0.46) IMPDH2IMPDH1PSEN1PSEN2APH1B
SCHEMBL2228174 0.72 JAK2 (0.49) IMPDH2IMPDH1

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-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
EP-2393804-B1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-16 EP 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.