SCHEMBL1010435

SCHEMBL1010435

CC(C)(C)OC(=O)Nc1cnc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
MAPKAPK2 P49137 3/20 0.44
MAOB P27338 1/20 0.42
NAMPT P43490 1/20 0.41
MAP4K4 O95819 1/20 0.41
TRPA1 O75762 1/20 0.40
RORC P51449 5/20 0.40
CYP17A1 P05093 1/20 0.40
ALDH1A1 P00352 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 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
SCHEMBL12902766 0.87 ATR (0.45) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL2015768 0.85 SYK (0.44) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL14018435 0.85 ATR (0.44) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL29509761 0.85 SYK (0.44) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL19960767 0.84 ATR (0.46) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL18839612 0.84 MAPKAPK2 (0.41) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL23147986 0.83 ATF1 (0.42) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL29813513 0.83 ATF1 (0.42) ATRMAPKAPK2NAMPTMAP4K4RORC
SCHEMBL909598 0.83 AR (0.48) ATRMAPKAPK2NAMPTRORC
SCHEMBL29813512 0.83 ATF1 (0.42) ATRMAPKAPK2NAMPTMAP4K4RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197384-A1 AZOLE COMPOUND AND ANTIFUNGAL AGENT NIHON NOHYAKU CO., LTD. (JP) 2025-06-19 US disclosed
EP-4495114-A1 AZOLE COMPOUND AND ANTIFUNGAL AGENT Nihon Nohyaku Co., Ltd. (JP) 2025-01-22 EP disclosed
US-20240270744-A1 NEW PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2024-08-15 US disclosed
EP-4405356-A1 PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-117957227-A Pyridodiazepine derivatives as GABA Aγ1 PAM 豪夫迈·罗氏有限公司 2024-04-30 CN disclosed
US-20230109111-A1 NEW PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-04-06 US disclosed
WO-2023046877-A1 PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 US disclosed
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 US disclosed
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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-20230109111-A1 NEW PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRA5 ATR 2004/4885MAPKAPK2 3532/4885MAOB 481/4885
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A ATR 2719/4885MAPKAPK2 1363/4885MAOB 2539/4885
US-20240270744-A1 NEW PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRA5 ATR 2004/4885MAPKAPK2 3532/4885MAOB 481/4885
US-20250197384-A1 AZOLE COMPOUND AND ANTIFUNGAL AGENT CBR3, ERG28, CBR1 ATR 1109/4885MAPKAPK2 3462/4885MAOB 2653/4885
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT ATR 3134/4885MAPKAPK2 2050/4885MAOB 113/4885
US-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 ATR 3211/4885MAPKAPK2 3922/4885MAOB 564/4885

“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.