SCHEMBL23778204

SCHEMBL23778204

CC(C)(C)OC(=O)N1CCn2nc(NC3(CO)CCC3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 12/20 0.41
▸ PIK3CA P42336 12/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ BTK Q06187 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL23778200 0.88 NR1H2 (0.39) PIK3R1PIK3CANR1H2PIK3CDPIK3CB
SCHEMBL23778205 0.79 ATM (0.46) NR1H2
SCHEMBL12307411 0.76 NR1H2 (0.45) NR1H2MEN1KMT2AESR2NAMPT
SCHEMBL29697602 0.76 NR1H2 (0.45) NR1H2ESR2
SCHEMBL22435395 0.76 NR1H2 (0.45) NR1H2ESR2
SCHEMBL12307412 0.75 NR1H2 (0.48) NR1H2MEN1KMT2AESR2ALDH1A1
SCHEMBL26645516 0.74 NR1H2 (0.46) NR1H2NAMPT
SCHEMBL26645198 0.74 NR1H2 (0.47) NR1H2MEN1KMT2AESR2ALDH1A1
SCHEMBL24535901 0.74 MEN1 (0.43) NR1H2MEN1KMT2AESR2
SCHEMBL30793149 0.74 NR1H2 (0.42) NR1H2MEN1KMT2AESR2

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-20220009931-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-01-13 — — US disclosed
US-20220009931-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-01-13 — — US disclosed
EP-3873907-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 (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-20220009931-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, CDKN1A PIK3R1 2974/4885PIK3CA 2581/4885NR1H2 1525/4885

“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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