SCHEMBL2019695

SCHEMBL2019695

CC(C)(C)OC(=O)Nc1cnc(Cl)c(F)c1I

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
METAP1 P53582 1/20 0.38
P2RX3 P56373 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MAPKAPK2 P49137 3/20 0.36
CYP17A1 P05093 1/20 0.36
TRPA1 O75762 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SYK P43405 1/20 0.34
S1PR3 Q99500 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
CDK9 P50750 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL30038835 1.00 ATR (0.42) ATRMETAP1P2RX3AAK1MAPKAPK2
SCHEMBL23147935 0.86 ATR (0.44) ATRMETAP1P2RX3MAPKAPK2TRPA1
SCHEMBL29721867 0.86 ATR (0.44) ATRMETAP1P2RX3MAPKAPK2TRPA1
SCHEMBL23147658 0.85 METAP1 (0.39) ATRMETAP1P2RX3AAK1MAPKAPK2
SCHEMBL29813535 0.85 METAP1 (0.39) ATRMETAP1P2RX3AAK1MAPKAPK2
SCHEMBL19960768 0.85 ATR (0.43) ATRMETAP1P2RX3AAK1MAPKAPK2
SCHEMBL1429903 0.84 ATR (0.42) ATRMETAP1P2RX3AAK1MAPKAPK2
SCHEMBL23291067 0.84 ATR (0.42) ATRMETAP1P2RX3AAK1MAPKAPK2
SCHEMBL13572899 0.84 ATR (0.42) ATRMETAP1P2RX3MAPKAPK2TRPA1
SCHEMBL23147930 0.83 RXFP1 (0.37) ATRMETAP1P2RX3MAPKAPK2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022118-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS UNIV TEXAS (US) 2026-01-22 US disclosed
WO-2024215862-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-10-17 WO disclosed
CN-111601799-B Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2023-06-09 CN 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
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
CN-111601799-A Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2020-08-28 CN disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B ATR 40/4885METAP1 4535/4885P2RX3 2679/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B ATR 40/4885METAP1 4535/4885P2RX3 2679/4885
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT ATR 3134/4885METAP1 2664/4885P2RX3 4161/4885
US-20260022118-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS NRAS, KRAS, HRAS ATR 148/4885METAP1 3703/4885P2RX3 2226/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B ATR 40/4885METAP1 4535/4885P2RX3 2679/4885

“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.