SCHEMBL23779123

SCHEMBL23779123

O=C(c1cc2ccccc2[nH]1)N1CCn2nc(NCC3CCOCC3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ AKR1C3 P42330 8/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HRH4 Q9H3N8 6/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL23779053 0.95 POLB (0.47) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779058 0.90 AKR1C3 (0.47) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779075 0.87 POLB (0.53) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779101 0.84 POLB (0.51) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL24319824 0.84 POLB (0.50) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779102 0.83 POLB (0.48) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779099 0.82 POLB (0.48) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779059 0.82 HRH4 (0.46) HRH4NAMPTDRD2DRD3
SCHEMBL23779107 0.82 HRH4 (0.53) POLBSMN1; SMN2AKR1C3HDAC6HRH4
SCHEMBL23779103 0.81 HDAC6 (0.50) POLBSMN1; SMN2AKR1C3HDAC6HRH4

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 POLB 536/4885SMN1; SMN2 4877/4885AKR1C3 3521/4885

“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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