SCHEMBL23779073

SCHEMBL23779073

O=C(c1cc2c(F)cc(F)cc2[nH]1)N1CCn2nc(NCC3CCOC3)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NAMPT P43490 3/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ GRM5 P41594 5/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ GSK3B P49841 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL23779111 0.92 MAPK1 (0.33) MAPK1NAMPTHRH4GRM5KCNH2
SCHEMBL23779050 0.92 MAPK1 (0.33) MAPK1NAMPTGRM5RAF1BRAF
SCHEMBL23779084 0.85 MAPK10 (0.39) MMP9NAMPTHRH4
SCHEMBL23779059 0.83 HRH4 (0.46) NAMPTHRH4GRM5
SCHEMBL23779053 0.83 POLB (0.47) NAMPTHRH4
SCHEMBL23779131 0.79 HRH4 (0.36) MMP9HRH4GRM5KCNH2
SCHEMBL23779058 0.78 AKR1C3 (0.47) HRH4
SCHEMBL23779042 0.78 POLB (0.38) NAMPTHRH4GRM5KCNH2
SCHEMBL23779123 0.78 POLB (0.51) NAMPTHRH4
SCHEMBL22395879 0.78 NPY5R (0.40) MMP9GRM5

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 MMP9 2854/4885MAPK1 2605/4885NAMPT 910/4885

“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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