SCHEMBL23778205

SCHEMBL23778205

CC(C)(C)OC(=O)N1CCn2nc(NC3(c4ccccc4)CC3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ TACR1 P25103 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ GRM5 P41594 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38

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
SCHEMBL28594559 0.85 GRM5 (0.44) GRM5
SCHEMBL26645516 0.82 NR1H2 (0.46) NR1H2GRM5MAPK1ACHEKIT
SCHEMBL23778204 0.79 PIK3R1 (0.41) NR1H2
SCHEMBL12307580 0.77 MEN1 (0.45) NR1H2ACHE
SCHEMBL12307411 0.76 NR1H2 (0.45) TSHRNR1H2GRM5MAPK1
SCHEMBL23779080 0.75 HDAC6 (0.49) GRM5
SCHEMBL23778200 0.75 NR1H2 (0.39) NR1H2
SCHEMBL12307412 0.74 NR1H2 (0.48) ATMNR1H2GRM5MAPK1
SCHEMBL26645720 0.74 NR1H2 (0.44) NR1H2GRM5
SCHEMBL12335631 0.73 NR1H2 (0.46) ATMNR1H2GRM5MAPK1

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 2 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
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 ATM 3945/4885TSHR 4190/4885ALOX15 4308/4885

“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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