SCHEMBL23779111

SCHEMBL23779111

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ HRH4 Q9H3N8 3/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ GRM5 P41594 4/20 0.33
▸ NAMPT P43490 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHRM4 P08173 1/20 0.30

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
SCHEMBL23779073 0.92 MMP9 (0.34) MAPK1HRH4GRM5NAMPTKCNH2
SCHEMBL23779050 0.90 MAPK1 (0.33) MAPK1LRRK2GRM5NAMPTRAF1
SCHEMBL23779059 0.88 HRH4 (0.46) HRH4LRRK2GRM5NAMPT
SCHEMBL23779042 0.86 POLB (0.38) HRH4GRM5NAMPTKCNH2KMT2A
SCHEMBL23779053 0.82 POLB (0.47) HRH4NAMPT
SCHEMBL23779078 0.80 HRH4 (0.36) HRH4GRM5KCNH2MEN1KMT2A
SCHEMBL22396117 0.78 NPY5R (0.39) GRM5
SCHEMBL23779084 0.78 MAPK10 (0.39) HRH4NAMPTKMT2A
SCHEMBL23779058 0.77 AKR1C3 (0.47) HRH4
SCHEMBL24321138 0.77 MAPK10 (0.37) NAMPTKMT2A

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 MAPK1 2605/4885HRH4 1121/4885LRRK2 522/4885

“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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