Sugi Predict

Sugi Predict / Compounds / SCHEMBL6477248

SCHEMBL6477248

SCHEMBL6477248

COC(=O)CC(C[N+](=O)[O-])c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CPA1 P15085 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7687237 0.85 CNR1 (0.43) ALDH1A1CYP3A4CPA1MAPTNPSR1
SCHEMBL7684336 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4CPA1MAPTSMN1; SMN2
SCHEMBL121197 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4CPA1LMNAKMT2A
SCHEMBL6489372 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4CPA1MAPTSMN1; SMN2
SCHEMBL6487215 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4CPA1LMNA
SCHEMBL6492632 0.84 ALDH1A1 (0.40) ALDH1A1HTTCYP3A4CPA1MAPT
SCHEMBL6491602 0.83 LMNA (0.38) CYP2C19ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7763289 0.83 CYP1A2 (0.46) ALDH1A1HTTCPA1MAPTLMNA
SCHEMBL7763294 0.83 CYP1A2 (0.46) ALDH1A1HTTCPA1MAPTLMNA
SCHEMBL6479508 0.82 ALDH1A1 (0.38) ALDH1A1HTTCYP3A4MAPTKDM4E

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
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
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
US-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 — — US disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 — — US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 — — US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 — — WO 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-20020137770-A1 Piperidine derivatives CIP2A, PARP2, TP53 CYP2C9 3901/4885CYP2C19 3496/4885ALDH1A1 270/4885
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 CYP2C9 1861/4885CYP2C19 2719/4885ALDH1A1 3762/4885

“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.