SCHEMBL23779077

SCHEMBL23779077

CC1Cn2nc(NCC3CCOC3)cc2CN1C(=O)c1cc2c(Cl)cccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.38
▸ SYK P43405 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ GRM5 P41594 3/20 0.33
▸ PYGL P06737 1/20 0.33
▸ PYGM P11217 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ GSK3B P49841 3/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31

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
SCHEMBL23779097 0.88 AKR1C3 (0.40) HRH4DRD2DRD3GRM5
SCHEMBL23779128 0.86 HRH4 (0.39) HRH4SYKDRD2DRD3GRM5
SCHEMBL23779059 0.85 HRH4 (0.46) HRH4SYKDRD2DRD3GRM5
SCHEMBL23779040 0.78 HRH4 (0.47) HRH4DRD2DRD3GRM5PYGL
SCHEMBL24186785 0.75 KIT (0.39) NAMPTKCNH2RAF1BRAF
SCHEMBL24319821 0.74 POLB (0.39) HRH4
SCHEMBL23779111 0.74 MAPK1 (0.33) HRH4GRM5LRRK2NAMPTKCNH2
SCHEMBL23779053 0.73 POLB (0.47) HRH4DRD2DRD3NAMPT
SCHEMBL23779076 0.72 HRH4 (0.48) HRH4SYKDRD2DRD3GRM5
SCHEMBL22396148 0.70 HRH4 (0.42) HRH4SYKDRD2DRD3GRM5

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 1121/4885SYK 4649/4885DRD2 3931/4885

“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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