SCHEMBL26567684

SCHEMBL26567684

Cc1ccc2sc(C3CC4(CC(NC(=O)c5csc(N)n5)C4)C3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ HPGDS O60760 1/20 0.35
▸ ROCK2 O75116 5/20 0.34
▸ TYR P14679 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ UBE2M P61081 3/20 0.34
▸ DCUN1D1 Q96GG9 3/20 0.34
▸ HDAC4 P56524 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL26185568 0.90 NPC1 (0.41) MAPK14HPGDSROCK2TYRLMNA
SCHEMBL26567620 0.82 ROCK2 (0.39) DYRK1AHPGDSROCK2LMNAUBE2M
SCHEMBL26568062 0.81 HPGDS (0.36) DYRK1AHPGDSROCK2LMNAUBE2M
SCHEMBL26567589 0.79 CHRM4 (0.38) DYRK1AHPGDSROCK2LMNAUBE2M
SCHEMBL26567751 0.79 DYRK1A (0.38) DYRK1AROCK2LMNAUBE2MDCUN1D1
SCHEMBL26567893 0.77 KCNK3 (0.40) DYRK1AHPGDSROCK2LMNAUBE2M
SCHEMBL26567573 0.77 LMNA (0.40) DYRK1AROCK2LMNAUBE2MDCUN1D1
SCHEMBL26567915 0.76 CSNK1E (0.39) DYRK1AHPGDSROCK2LMNAUBE2M
SCHEMBL26567649 0.76 NPC1 (0.38) DYRK1AHPGDSROCK2LMNAHDAC4
SCHEMBL26567483 0.76 PCSK9 (0.45) —

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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 — — 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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 MAPK14 3568/4885DYRK1A 4673/4885HPGDS 795/4885

“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.

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