SCHEMBL23779042

SCHEMBL23779042

O=C(Nc1cc2n(n1)CCN(C(=O)c1cc3c(Cl)cc(F)cc3[nH]1)C2)C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ MAPK10 P53779 4/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ MAPK14 Q16539 3/20 0.38
▸ HRH4 Q9H3N8 3/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ PIP5K1C O60331 4/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ PIP5K1B O14986 1/20 0.34
▸ PIP5K1A Q99755 1/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL23779084 0.92 MAPK10 (0.39) POLBMAPK10MAPK8MAPK14HRH4
SCHEMBL24321138 0.89 MAPK10 (0.37) POLBMAPK10MAPK8MAPK14PTGER1
SCHEMBL23779076 0.89 HRH4 (0.48) POLBMAPK10MAPK8MAPK14HRH4
SCHEMBL23779091 0.87 POLB (0.43) POLBMAPK10MAPK8MAPK14HRH4
SCHEMBL23779111 0.86 MAPK1 (0.33) HRH4GRM5KCNH2NAMPTKMT2A
SCHEMBL23779092 0.82 SYK (0.42) POLBMAPK10MAPK8MAPK14HRH4
SCHEMBL23779102 0.81 POLB (0.48) POLBMAPK10MAPK8MAPK14HRH4
SCHEMBL23779078 0.81 HRH4 (0.36) POLBHRH4GRM5KCNH2KMT2A
SCHEMBL23779073 0.78 MMP9 (0.34) HRH4GRM5KCNH2NAMPT
SCHEMBL23779075 0.76 POLB (0.53) POLBMAPK14HRH4NAMPT

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 536/4885MAPK10 3488/4885MAPK8 2592/4885

“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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