SCHEMBL26262829

SCHEMBL26262829

COc1ccc2c(OC)ncc(C(C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.40
ACHE P22303 1/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHUK O15111 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 3/20 0.35
EGFR P00533 2/20 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
SCHEMBL12775114 0.94 ACHE (0.39) MAP4K1ACHEPOLBHPGDMEN1
SCHEMBL13830143 0.86 DYRK1A (0.41) MAP4K1ACHEMEN1KMT2ACHUK
SCHEMBL25003435 0.85 MAOA (0.36) MAP4K1ACHESMN1; SMN2CHUKALDH1A1
SCHEMBL25003191 0.83 MAP4K1 (0.37) MAP4K1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL25004048 0.83 MAP4K1 (0.39) MAP4K1MAPT
SCHEMBL25003399 0.80 ALDH1A1 (0.50) MAP4K1POLBHPGDKMT2ASMN1; SMN2
SCHEMBL12053965 0.79 CA1 (0.43) ACHEPOLBHPGDMEN1KMT2A
SCHEMBL8273115 0.78 CA12 (0.44) ACHEMEN1KMT2ASMN1; SMN2CHUK
SCHEMBL12035854 0.77 MAP4K1 (0.36) MAP4K1ACHEALDH1A1KDM4EMAPT
SCHEMBL25003722 0.77 MAP4K1 (0.38) MAP4K1MAPTCA1CA2

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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF MAP4K1 3609/4885ACHE 4333/4885POLB 395/4885

“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.