SCHEMBL22304565

SCHEMBL22304565

Cn1nc(C(C)(C)C)c(C(C)(C)C)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
GRM5 P41594 5/20 0.39
KDM5B Q9UGL1 1/20 0.38
SCN4A P35499 1/20 0.37
MAPT P10636 1/20 0.36
PDE2A O00408 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
SLC34A1 Q06495 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL24417641 0.83 POLB (0.41) MAPTKDM4C
SCHEMBL3489899 0.75 MAPT (0.44) MAPK14GRM5MAPTSLC34A1
SCHEMBL13066522 0.72 SMN1; SMN2 (0.46) GRM5MAPTSLC34A1
SCHEMBL12733049 0.70
SCHEMBL3489083 0.69 SLC34A1 (0.45) MAPK14MAPK13MAPK12MAPK11GRM5
SCHEMBL12859323 0.69 LMNA (0.38) MAPK14GRM5MAPTCSNK1DSLC34A1
SCHEMBL12859266 0.69 CSNK1D (0.55) MAPK14MAPK13MAPK12MAPK11SCN4A
SCHEMBL20075564 0.69 GRM5 (0.47) MAPK14GRM5SLC34A1
SCHEMBL12859318 0.68 CNR1 (0.40) MAPK14GRM5MAPTPDE2APDE4D
SCHEMBL12859348 0.68 ALDH1A1 (0.41) KDM5BMAPTPDE2AKDM4C

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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 MAPK14 1630/4885MAPK13 1418/4885MAPK12 1292/4885

“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.