SCHEMBL23779117

SCHEMBL23779117

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ AKR1C3 P42330 4/20 0.44
▸ DRD3 P35462 3/20 0.43
▸ DRD2 P14416 2/20 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
SCHEMBL23779086 0.90 HRH4 (0.54) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779060 0.86 HRH4 (0.54) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL24319831 0.85 HDAC6 (0.48) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL24320719 0.85 HDAC6 (0.50) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL24319828 0.85 HRH4 (0.54) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779121 0.84 HDAC6 (0.54) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779127 0.84 AKR1C3 (0.49) HRH4HDAC6HRH3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL23779057 0.84 HRH4 (0.53) HRH4HDAC6HRH3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL23779065 0.84 HDAC6 (0.49) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779075 0.83 POLB (0.53) HRH4HDAC6HRH3POLBSMN1; 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 3 patents. 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
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
EP-3873910-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) 2021-09-08 — — EP 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 HRH4 1121/4885HDAC6 897/4885HRH3 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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