SCHEMBL22647486

SCHEMBL22647486

CCOC(=O)/C(=C\c1ccc(F)cc1C(C)(F)F)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CES2 O00748 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALPL P05186 1/20 0.33

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
SCHEMBL22620690 0.94 MAPT (0.39) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL22621695 0.90 MAPT (0.36) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL22620678 0.85 LMNA (0.39) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL28457793 0.85 MAPT (0.41) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL22620737 0.85 MAPT (0.41) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL22620595 0.84 MAPT (0.44) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL28169364 0.82 NPSR1 (0.41) MAPTNPSR1POLBCES2ALDH1A1
SCHEMBL28455695 0.82 MAPT (0.42) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL25288403 0.81 MAPT (0.47) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL28169333 0.80 ALDH1A1 (0.38) MAPTLMNAPTPN1ALDH1A1GAA

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 5 patents. 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
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-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-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-06-17 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 MAPT 3885/4885MEN1 4562/4885LMNA 2477/4885
US-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) CDK2, HCCS, BRD4 MAPT 4101/4885MEN1 4742/4885LMNA 2455/4885
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 MAPT 4102/4885MEN1 4630/4885LMNA 2686/4885
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, CDK2 MAPT 4297/4885MEN1 4697/4885LMNA 2321/4885

“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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