SCHEMBL24319824

SCHEMBL24319824

O=C(c1cc2ccccc2[nH]1)N1CCn2nc(NC3CCOC3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HRH4 Q9H3N8 6/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ AKR1C3 P42330 8/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ RBP4 P02753 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL23779102 0.88 POLB (0.48) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL23779075 0.86 POLB (0.53) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL24320723 0.86 HDAC6 (0.50) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL23779053 0.86 POLB (0.47) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL24319780 0.85 HDAC6 (0.51) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL24320729 0.85 HDAC6 (0.51) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL23779101 0.84 POLB (0.51) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL23779123 0.84 POLB (0.51) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL23779054 0.84 HDAC6 (0.48) POLBSMN1; SMN2HDAC6HRH4HRH3
SCHEMBL24319791 0.83 HDAC6 (0.47) POLBSMN1; SMN2HDAC6HRH4HRH3

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 POLB 536/4885SMN1; SMN2 4877/4885HDAC6 897/4885

“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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