SCHEMBL24320723

SCHEMBL24320723

O=C(c1cc2ccccc2[nH]1)N1CCn2nc(N[C@H]3CC[C@H](O)CC3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HRH4 Q9H3N8 7/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ AKR1C3 P42330 8/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RBP4 P02753 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ HRH1 P35367 1/20 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
SCHEMBL24319780 0.91 HDAC6 (0.51) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL24320729 0.91 HDAC6 (0.51) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779054 0.90 HDAC6 (0.48) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL24319791 0.89 HDAC6 (0.47) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL24319824 0.86 POLB (0.50) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779068 0.85 HRH4 (0.51) HDAC6HRH4
SCHEMBL24319828 0.83 HRH4 (0.54) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779103 0.83 HDAC6 (0.50) HDAC6HRH4HRH3AKR1C3POLB
SCHEMBL23779086 0.82 HRH4 (0.54) HDAC6HRH4HRH3AKR1C3POLB
Hydrochloric Acid SCHEMBL23779057 0.82 HRH4 (0.53) 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 2 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

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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