SCHEMBL2014349

SCHEMBL2014349

O=C(O)c1cc2c(cn1)[nH]c1nccc(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.52
GABRD O14764 5/20 0.52
GABRA1 P14867 5/20 0.52
GABRB1 P18505 5/20 0.52
GABRG2 P18507 5/20 0.52
GABRB3 P28472 5/20 0.52
GABRA5 P31644 5/20 0.52
GABRA3 P34903 5/20 0.52
GABRA2 P47869 5/20 0.52
GABRB2 P47870 5/20 0.52
GABRA4 P48169 5/20 0.52
GABRE P78334 5/20 0.52
GABRA6 Q16445 5/20 0.52
GABRG1 Q8N1C3 5/20 0.52
GABRG3 Q99928 5/20 0.52
GABRQ Q9UN88 5/20 0.52
KMT2A Q03164 2/20 0.52
AURKA O14965 2/20 0.47
AURKB Q96GD4 1/20 0.47
CHEK1 O14757 2/20 0.42

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
SCHEMBL2015365 0.85 GABRA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL674994 0.79 ERBB2 (0.50) AURKAAURKBCHEK1KMOALK
SCHEMBL2216476 0.77 GABRA1 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2157055 0.72 AURKA (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL676137 0.72 AURKA (0.50) AURKAAURKBALKKDM4EALDH1A1
SCHEMBL6522132 0.70 AURKA (0.62) AURKAAURKBKDM4E
SCHEMBL675910 0.70 PARP1 (0.46) AURKAAURKBCHEK1ALKCYP1A2
SCHEMBL1427647 0.70 CHEK1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15806886 0.69 KMO (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1180278 0.69 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 EP disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US 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-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
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
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 (3 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 GABRP 2825/4885GABRD 2986/4885GABRA1 2256/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B GABRP 2825/4885GABRD 2986/4885GABRA1 2256/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B GABRP 2825/4885GABRD 2986/4885GABRA1 2256/4885

“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.