SCHEMBL24320686

SCHEMBL24320686

Cc1nc(S(=O)(=O)Nc2cc3n(n2)CCN(C(=O)c2cc4ccccc4[nH]2)C3)cn1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HRH4 Q9H3N8 6/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DRD3 P35462 6/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL23779046 0.84 HDAC6 (0.49) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL23779121 0.84 HDAC6 (0.54) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL23779051 0.83 HRH4 (0.53) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL24321164 0.82 HDAC6 (0.49) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL24319823 0.81 LMNA (0.45) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL23779103 0.81 HDAC6 (0.50) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL24319826 0.81 NAMPT (0.50) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL23779094 0.80 HDAC6 (0.48) HDAC6HRH4MEN1HCRTR1KMT2A
SCHEMBL24321133 0.79 HRH4 (0.50) HDAC6HRH4DRD3CA12CA1
SCHEMBL23779086 0.79 HRH4 (0.54) HDAC6HRH4DRD3CA12CA1

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-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 — — 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-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 HDAC6 897/4885HRH4 1121/4885MEN1 4562/4885

“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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