SCHEMBL23779083

SCHEMBL23779083

O=C(Nc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2)C1CCN(C2CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HRH4 Q9H3N8 6/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.43
▸ AKR1C3 P42330 7/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL23779099 0.94 POLB (0.48) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL24319828 0.90 HRH4 (0.54) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779096 0.89 HDAC6 (0.48) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779127 0.89 AKR1C3 (0.49) HDAC6HRH4HRH3AKR1C3POLB
Hydrochloric Acid SCHEMBL23779057 0.89 HRH4 (0.53) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779075 0.88 POLB (0.53) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL24320719 0.88 HDAC6 (0.50) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779090 0.88 AKR1C3 (0.48) HDAC6HRH4HRH3AKR1C3POLB
Hydrochloric Acid SCHEMBL23779065 0.87 HDAC6 (0.49) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779060 0.87 HRH4 (0.54) HDAC6HRH4HRH3AKR1C3POLB

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 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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