SCHEMBL23779107

SCHEMBL23779107

O=C(c1cc2ccccc2[nH]1)N1CCn2nc(NCc3ccccc3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ DRD3 P35462 5/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HRH1 P35367 1/20 0.44
▸ AKR1C3 P42330 3/20 0.44

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
SCHEMBL24321133 0.86 HRH4 (0.50) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779114 0.83 HDAC6 (0.48) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779108 0.83 HDAC6 (0.48) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779109 0.83 HDAC6 (0.48) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779086 0.83 HRH4 (0.54) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL24319834 0.82 HDAC6 (0.47) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779051 0.82 HRH4 (0.53) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779117 0.82 HRH4 (0.52) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL23779121 0.82 HDAC6 (0.54) HRH4HDAC6HRH3POLBSMN1; SMN2
SCHEMBL24320729 0.81 HDAC6 (0.51) 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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