SCHEMBL1359412

SCHEMBL1359412

COc1cc(Nc2cncn3cc(-c4cc(F)ccc4C)nc23)ccc1-c1cnc(C)o1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.42
PSEN1 P49768 10/20 0.42
PSEN2 P49810 10/20 0.42
APH1B Q8WW43 10/20 0.42
NCSTN Q92542 10/20 0.42
APH1A Q96BI3 10/20 0.42
PSENEN Q9NZ42 10/20 0.42
SYK P43405 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1360575 0.90 PSEN1 (0.53) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL16418233 0.89 PSEN1 (0.52) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL1359477 0.85 PSEN1 (0.38) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL16418224 0.79 PSEN1 (0.64) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL1360967 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360081 0.77 IMPDH2 (0.50) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL1361046 0.77 TRPV1 (0.35) POLBLMNATP53MAPTTDP1
SCHEMBL1360158 0.76 PSEN1 (0.36) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL16418146 0.75 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360200 0.74 PSEN1 (0.39) IMPDH2PSEN1PSEN2APH1BNCSTN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A IMPDH2 3553/4885PSEN1 5/4885PSEN2 10/4885

“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.