SCHEMBL24320719

SCHEMBL24320719

O=C(Nc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2)C1CNC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HRH4 Q9H3N8 6/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ AKR1C3 P42330 6/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42

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
Hydrochloric Acid SCHEMBL23779065 0.99 HDAC6 (0.49) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL24319828 0.93 HRH4 (0.54) HDAC6HRH4HRH3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL23779057 0.92 HRH4 (0.53) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779060 0.90 HRH4 (0.54) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL24319831 0.89 HDAC6 (0.48) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779075 0.89 POLB (0.53) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779127 0.88 AKR1C3 (0.49) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779096 0.88 HDAC6 (0.48) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779083 0.88 HDAC6 (0.48) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779086 0.86 HRH4 (0.54) HDAC6HRH4HRH3POLBSMN1; SMN2

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 1121/4885HRH3 1503/4885

“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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