SCHEMBL22394993

SCHEMBL22394993

CCc1ccc(F)c2[nH]c(C(=O)O)cc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.61
TDO2 P48775 9/20 0.61
FBP1 P09467 1/20 0.47
EIF4A3 P38919 3/20 0.47
HRH4 Q9H3N8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
GPR35 Q9HC97 2/20 0.41
GRIN1 Q05586 1/20 0.41
PDE2A O00408 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40

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
SCHEMBL29425167 1.00 IDO1 (0.61) IDO1TDO2FBP1EIF4A3HRH4
SCHEMBL29974758 0.85 IDO1 (0.75) IDO1TDO2EIF4A3HRH4KDM4E
SCHEMBL22747188 0.85 IDO1 (0.75) IDO1TDO2EIF4A3HRH4KDM4E
SCHEMBL22620768 0.84 IDO1 (0.47) IDO1TDO2FBP1HRH4KDM4E
SCHEMBL24021130 0.81 EIF4A3 (0.49) IDO1TDO2FBP1EIF4A3KDM4E
SCHEMBL20505032 0.81 IDO1 (0.65) IDO1TDO2EIF4A3HRH4KDM4E
SCHEMBL30817202 0.78 EIF4A3 (0.62) IDO1TDO2FBP1EIF4A3HRH4
SCHEMBL22396294 0.78 IDO1 (0.65) IDO1TDO2EIF4A3HRH4KDM4E
SCHEMBL22394891 0.78 IDO1 (0.65) IDO1TDO2EIF4A3HRH4GRIN1
SCHEMBL1144985 0.77 KDM4E (0.77) IDO1TDO2FBP1EIF4A3HRH4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962909-B1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO KG (DE) 2023-10-04 EP disclosed
EP-3962909-B1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO KG (DE) 2023-10-04 EP disclosed
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-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-09-29 US disclosed
US-20220227737-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 US disclosed
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 US disclosed
EP-3962909-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-08 US disclosed
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-02-01 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221811-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221811-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
EP-3704127-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2020-09-09 EP disclosed
EP-3704119-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2020-09-09 EP disclosed
CN-111527087-A Novel highly active pyrazolo-piperidine substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2020-08-11 CN disclosed
CN-111448199-A Novel highly active amino-thiazole-substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2020-07-24 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 (7 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-20220227737-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, ZC3HAV1, MAVS IDO1 1431/4885TDO2 4071/4885FBP1 582/4885
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 IDO1 26/4885TDO2 353/4885FBP1 1028/4885
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 IDO1 34/4885TDO2 408/4885FBP1 979/4885
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) HCCS, IDO1, BRD4 IDO1 2/4885TDO2 202/4885FBP1 1279/4885
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 IDO1 14/4885TDO2 210/4885FBP1 2190/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 IDO1 5/4885TDO2 183/4885FBP1 2397/4885
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, CDK2 IDO1 14/4885TDO2 636/4885FBP1 1431/4885

“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.