SCHEMBL23779059

SCHEMBL23779059

O=C(c1cc2c(Cl)cccc2[nH]1)N1CCn2nc(NCC3CCOC3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.46
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ SYK P43405 1/20 0.39
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL23779111 0.88 MAPK1 (0.33) HRH4GRM5LRRK2NAMPT
SCHEMBL23779053 0.87 POLB (0.47) HRH4DRD2DRD3NAMPT
SCHEMBL23779076 0.86 HRH4 (0.48) HRH4DRD2DRD3SYKMAPK14
SCHEMBL23779077 0.85 HRH4 (0.38) HRH4DRD2DRD3SYKGRM5
SCHEMBL23779073 0.83 MMP9 (0.34) HRH4GRM5NAMPT
SCHEMBL23779058 0.83 AKR1C3 (0.47) HRH4SYK
SCHEMBL23779123 0.82 POLB (0.51) HRH4DRD2DRD3NAMPT
SCHEMBL23779050 0.81 MAPK1 (0.33) SYKGRM5LRRK2NAMPT
SCHEMBL23779129 0.80 HRH4 (0.51) HRH4DRD2DRD3GRIN2DGRIN3B
SCHEMBL23779068 0.80 HRH4 (0.51) HRH4DRD2DRD3GRIN2DGRIN3B

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 1121/4885DRD2 3931/4885DRD3 4206/4885

“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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