SCHEMBL23778552

SCHEMBL23778552

COC(=O)C1(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
HSD11B1 P28845 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RY1 P47900 1/20 0.42
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
ELOVL1 Q9BW60 1/20 0.39
TSHR P16473 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
KCNA3 P22001 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL31292311 0.93 LMNA (0.51) HIF1AHSD11B1LMNANPSR1CYP3A4
SCHEMBL31382142 0.89 OPRM1 (0.51) HIF1AHSD11B1LMNANPSR1P2RY1
SCHEMBL29514643 0.82 HDAC4 (0.37) HIF1AHSD11B1LMNANPSR1P2RY1
Water SCHEMBL27993946 0.81 HSD11B1 (0.40) HSD11B1P2RY1ALDH1A1KCNA3MEN1
SCHEMBL349195 0.81 MEN1 (0.56) HSD11B1KCNA3MEN1KMT2AAPOBEC3A
SCHEMBL348946 0.81 OPRM1 (0.57)
SCHEMBL7010865 0.80 ALDH1A1 (0.47) HSD11B1LMNAALDH1A1CYP2D6CYP17A1
SCHEMBL1464894 0.79 CA12 (0.44) HSD11B1P2RY1CYP3A4ALDH1A1CYP2C19
SCHEMBL844453 0.79 OPRM1 (0.53) HSD11B1LMNANPSR1CYP3A4ALDH1A1
SCHEMBL31382726 0.79 TSHR (0.51) HIF1AHSD11B1CYP3A4ALDH1A1CYP2C19

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 7 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
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
CN-113056467-A 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazindole-2-carboxamide active agents against hepatitis b virus HBV 艾库里斯有限及两合公司 2021-06-29 CN disclosed
CN-113039186-A Urea 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine active agents against hepatitis b virus HBV 艾库里斯有限及两合公司 2021-06-25 CN 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 HIF1A 1771/4885HSD11B1 2497/4885LMNA 2605/4885
US-20210355129-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, CDKN1A HIF1A 1694/4885HSD11B1 2309/4885LMNA 2605/4885

“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.