SCHEMBL23779054

SCHEMBL23779054

COC1CCC(Nc2cc3n(n2)CCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HRH4 Q9H3N8 5/20 0.47
▸ AKR1C3 P42330 6/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD3 P35462 4/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ DRD2 P14416 3/20 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
SCHEMBL24320723 0.90 HDAC6 (0.50) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL24319780 0.85 HDAC6 (0.51) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL24320729 0.85 HDAC6 (0.51) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL24319824 0.84 POLB (0.50) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL24319791 0.83 HDAC6 (0.47) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL23779090 0.82 AKR1C3 (0.48) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL23779086 0.82 HRH4 (0.54) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL23779103 0.81 HDAC6 (0.50) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL23779117 0.81 HRH4 (0.52) HDAC6HRH4AKR1C3HRH3POLB
SCHEMBL23779121 0.81 HDAC6 (0.54) HDAC6HRH4AKR1C3HRH3POLB

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 1121/4885AKR1C3 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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