SCHEMBL22394964

SCHEMBL22394964

CC(F)(F)c1cccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
AHR P35869 1/20 0.50
CHRNA7 P36544 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50

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
SCHEMBL30396733 1.00 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL30310417 0.88 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL1144458 0.88 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL23513291 0.87 HRH4 (0.39) MAPTHRH4RHEBFLT3
SCHEMBL22395008 0.86 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL29425115 0.86 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL22620677 0.81 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL22394992 0.79 EIF4A3 (0.49) KDM4EHSD17B10ALDH1A1HPGDCYP2C19
SCHEMBL29465480 0.79 EIF4A3 (0.49) KDM4EHSD17B10ALDH1A1HPGDCYP2C19
SCHEMBL3417091 0.77 FLT3 (0.60) KDM4EHSD17B10ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952365-B2 Anti-viral compounds ALIGOS THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN 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-3962914-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP 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-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
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
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
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 (6 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 KDM4E 1671/4885HSD17B10 1593/4885ALDH1A1 3573/4885
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 KDM4E 657/4885HSD17B10 2193/4885ALDH1A1 3682/4885
US-11952365-B2 Anti-viral compounds EIF2AK2, ZC3HAV1, HAVCR2 KDM4E 3205/4885HSD17B10 1644/4885ALDH1A1 2039/4885
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 KDM4E 569/4885HSD17B10 2316/4885ALDH1A1 3762/4885
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) HCCS, IDO1, BRD4 KDM4E 1019/4885HSD17B10 980/4885ALDH1A1 3923/4885
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 KDM4E 838/4885HSD17B10 1978/4885ALDH1A1 3863/4885

“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.