SCHEMBL31318904

SCHEMBL31318904

CN1CCC(c2cnc(N)c3cnn(C)c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ HTR1D P28221 4/20 0.37
▸ HTR1B P28222 3/20 0.37
▸ HTR1F P30939 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ JAK1 P23458 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
SCHEMBL30886293 0.71 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBALOX15
SCHEMBL4004688 0.71 HRH4 (0.45) HTR1DHTR1BHTR1FHTR1A
SCHEMBL20265805 0.71 HTR1D (0.44) HTR1DHTR1BHTR1FALOX15LRRK2
SCHEMBL25320978 0.68 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KB
SCHEMBL24304702 0.67 TRPC6 (0.46) HTR1DHTR1BHTR1FALOX15LRRK2
SCHEMBL17967804 0.67 HTT (0.41) HTR1DHTR1BHTR1FLRRK2SMN1; SMN2
SCHEMBL20919392 0.67 TRPC6 (0.57) —
SCHEMBL2320740 0.66 HRH4 (0.40) HTR1DHTR1BHTR1FALOX15LRRK2
SCHEMBL18154726 0.66 ALDH1A1 (0.41) HTR1DHTR1BHTR1FHTR1A
SCHEMBL30788216 0.66 HTR1B (0.42) HTR1DHTR1BHTR1F

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-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-02-20 — — US claimed

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-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 PI4KA 847/4885PI4K2B 1306/4885PI4K2A 1708/4885

“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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