SCHEMBL23778486

SCHEMBL23778486

CC(C)(C)OC(=O)NC1(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.45
CYP17A1 P05093 5/20 0.43
CYP19A1 P11511 1/20 0.39
PDE2A O00408 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
RAB9A P51151 1/20 0.37
DRD2 P14416 5/20 0.37
MAPK1 P28482 1/20 0.36
AKT2 P31751 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL89859 0.94 AKT1 (0.42) AKT1CYP17A1CYP19A1PDE2ACNR1
SCHEMBL2554955 0.84 AKT1 (0.47) AKT1CNR1CNR2RAB9AAKT2
SCHEMBL2143233 0.84 AKT1 (0.41) AKT1CYP17A1PDE2ACNR1CNR2
SCHEMBL23778505 0.84 HIF1A (0.39) CYP19A1PDE2AMAPK1
SCHEMBL18551335 0.83 MIF (0.46) AKT1PDE2ACNR1CNR2DRD2
SCHEMBL23778929 0.83 RAB9A (0.48) AKT1CYP17A1CYP19A1CNR1CNR2
SCHEMBL5640967 0.82 AKT1 (0.43) AKT1PDE2ACNR1CNR2DRD2
SCHEMBL2588632 0.82 NPC1 (0.47) AKT1PDE2ARAB9ADRD2AKT2
SCHEMBL14236180 0.82 AKT1 (0.43) AKT1PDE2ACNR1CNR2DRD2
SCHEMBL12196127 0.82 DRD2 (0.53) AKT1PDE2ACNR1CNR2DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-11-17 US disclosed
US-20210355129-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-11-18 US disclosed
EP-3873909-A1 NOVEL 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
EP-3873908-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES 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 (2 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-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 AKT1 1862/4885CYP17A1 4347/4885CYP19A1 3395/4885
US-20210355129-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, CDKN1A AKT1 2165/4885CYP17A1 4047/4885CYP19A1 3756/4885

“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.