SCHEMBL16637537

SCHEMBL16637537

CC(C)(C)OC(=O)n1c2ccncc2c2ccc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ MAT2A P31153 1/20 0.34
▸ TTK P33981 3/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DGAT2 Q96PD7 2/20 0.33
▸ LATS1 O95835 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL19805011 0.86 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21310437 0.83 AAK1 (0.39) GABRG2GABRB3GABRA5HSP90AA1HSP90AB1
SCHEMBL19806740 0.81 DDB1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL22960801 0.79 MAPT (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16637427 0.79 MAPT (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL29773883 0.77 CHRM2 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21308367 0.76 MAPT (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597821 0.75 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21217178 0.74 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL22978317 0.74 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306093-B2 Process for preparation of 2-(6-nitropyridin-3-yl)-9H-dipyrido[2,3-b;3′,4′-d]pyrrole HOFFMANN-LA ROCHE, INC. (US) 2022-04-19 — — US disclosed
US-11058781-B2 Diazacarbazole derivatives as tau-PET-ligands HOFFMANN-LA ROCHE INC. 2021-07-13 — — US disclosed
EP-3510031-B1 PROCESS FOR PREPARATION OF 2-(6-NITROPYRIDIN-3-YL)-9H-DIPYRIDO[2,3-B;3',4'-D]PYRROLE HOFFMANN LA ROCHE (CH) 2020-12-02 — — EP disclosed
EP-3510031-B1 PROCESS FOR PREPARATION OF 2-(6-NITROPYRIDIN-3-YL)-9H-DIPYRIDO[2,3-B;3',4'-D]PYRROLE HOFFMANN LA ROCHE (CH) 2020-12-02 — — EP disclosed
US-20190300529-A1 Process for preparation of 2-(6-nitropyridin-3-yl)-9H-dipyrido[2,3-b;3',4'-d]pyrrole HOFFMANN-LA ROCHE INC. (US) 2019-10-03 — — US disclosed
US-20190300529-A1 Process for preparation of 2-(6-nitropyridin-3-yl)-9H-dipyrido[2,3-b;3',4'-d]pyrrole HOFFMANN-LA ROCHE INC. (US) 2019-10-03 — — US disclosed
EP-3510031-A1 PROCESS FOR PREPARATION OF 2-(6-NITROPYRIDIN-3-YL)-9H-DIPYRIDO[2,3-B;3',4'-D]PYRROLE H. Hoffnabb-La Roche Ag (CH) 2019-07-17 — — EP disclosed
US-20180326099-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS HOFFMANN-LA ROCHE INC. (US) 2018-11-15 — — US disclosed
US-10004817-B2 Diazacarbazole derivatives as tau-PET-ligands HOFFMANN-LA ROCHE INC. (US) 2018-06-26 — — US disclosed
WO-2018046428-A1 PROCESS FOR PREPARATION OF 2-(6-NITROPYRIDIN-3-YL)-9H-DIPYRIDO[2,3-B;3',4'-D]PYRROLE F. HOFFMANN-LA ROCHE AG (CH) 2018-03-15 — — WO disclosed
WO-2018046428-A1 PROCESS FOR PREPARATION OF 2-(6-NITROPYRIDIN-3-YL)-9H-DIPYRIDO[2,3-B;3',4'-D]PYRROLE F. HOFFMANN-LA ROCHE AG (CH) 2018-03-15 — — WO disclosed
EP-3055308-B1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS HOFFMANN LA ROCHE (CH) 2017-11-22 — — EP disclosed
EP-3055308-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2016-08-17 — — EP disclosed
WO-2015052105-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 — — 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 (5 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-10004817-B2 Diazacarbazole derivatives as tau-PET-ligands SNCA, MAPT, PSEN1 GABRG2 724/4885GABRB3 55/4885GABRA5 292/4885
US-20180326099-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS SNCA, MAPT, PSEN1 GABRG2 724/4885GABRB3 55/4885GABRA5 292/4885
US-11058781-B2 Diazacarbazole derivatives as tau-PET-ligands SNCA, MAPT, PSEN1 GABRG2 724/4885GABRB3 55/4885GABRA5 292/4885
US-20190300529-A1 Process for preparation of 2-(6-nitropyridin-3-yl)-9H-dipyrido[2,3-b;3',4'-d]pyrrole HBB, PAH, BOLA2; BOLA2B GABRG2 345/4885GABRB3 233/4885GABRA5 611/4885
US-11306093-B2 Process for preparation of 2-(6-nitropyridin-3-yl)-9H-dipyrido[2,3-b;3′,4′-d]pyrrole HBB, PAH, BOLA2; BOLA2B GABRG2 341/4885GABRB3 239/4885GABRA5 605/4885

“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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