SCHEMBL26288474

SCHEMBL26288474

CC(C)c1nn(C)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PAK4 O96013 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HSD11B1 P28845 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
SCHEMBL17997478 0.82 PAK4 (0.33) PAK4
SCHEMBL5423132 0.72 HTR2A (0.36) CYP1A2LRRK2HTR2AHTR2CHSD11B1
SCHEMBL15623924 0.72 GAA (0.41) CYP1A2LRRK2HTR2AHTR2CHSD11B1
SCHEMBL14923156 0.72 LRRK2 (0.44) CYP1A2LRRK2HTR2AHTR2CHSD11B1
SCHEMBL20050020 0.72 PAK4 (0.34) PAK4
SCHEMBL12731902 0.72
SCHEMBL16178010 0.71 PROKR1 (0.35) CYP1A2LRRK2HTR2AHTR2CHSD11B1
SCHEMBL31239647 0.71 LRRK2 (0.37) CYP1A2LRRK2HTR2AHTR2CHSD11B1
SCHEMBL21379850 0.71 LRRK2 (0.37) CYP1A2LRRK2HTR2AHTR2CHSD11B1
SCHEMBL28177579 0.71 LRRK2 (0.37) CYP1A2LRRK2HTR2AHTR2CHSD11B1

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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 CYP1A2 37/4885LRRK2 2054/4885PAK4 1357/4885

“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.