SCHEMBL25004047

SCHEMBL25004047

COc1ncc(C(C)(C)C)c2cccc(F)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.38
ALOX5AP P20292 7/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR4 P51679 3/20 0.33
SQOR Q9Y6N5 1/20 0.33
MAP4K1 Q92918 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAOB P27338 1/20 0.32
ULK1 O75385 1/20 0.32
HPGD P15428 1/20 0.32
BUB1 O43683 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
SCHEMBL26262796 0.83 GABRA1 (0.36) FEN1ALOX5APALDH1A1CYP1A2CYP2C19
SCHEMBL25003231 0.82 CCR4 (0.37) ALDH1A1CYP1A2CYP2C19CCR4SQOR
SCHEMBL25003411 0.82 ALOX5AP (0.38) FEN1ALOX5APMAP4K1
SCHEMBL25003708 0.79 ALOX5AP (0.35) FEN1ALOX5APMAP4K1
SCHEMBL25003399 0.77 ALDH1A1 (0.50) FEN1ALOX5APALDH1A1CYP1A2CYP2C19
SCHEMBL25003239 0.75 ABL1 (0.41) FEN1ALOX5APALDH1A1CYP1A2CYP2C19
SCHEMBL25003722 0.74 MAP4K1 (0.38) FEN1ALOX5APMAP4K1
SCHEMBL25003725 0.72 SQOR (0.40) ALDH1A1CYP1A2CYP2C19SQORMAP4K1
SCHEMBL25004048 0.71 MAP4K1 (0.39) FEN1ALOX5APCYP1A2CYP2C19SQOR
SCHEMBL25003184 0.71 MAP4K1 (0.36) FEN1ALOX5APCYP1A2CYP2C19SQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF FEN1 2821/4885ALOX5AP 2603/4885ALDH1A1 3732/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY FEN1 975/4885ALOX5AP 3507/4885ALDH1A1 2620/4885

“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.