SCHEMBL2015365

SCHEMBL2015365

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.57
GABRG2 P18507 12/20 0.57
GABRB3 P28472 12/20 0.57
GABRA5 P31644 12/20 0.57
GABRA3 P34903 12/20 0.57
GABRA2 P47869 11/20 0.57
GABRA4 P48169 9/20 0.57
GABRA6 Q16445 9/20 0.57
GABRP O00591 6/20 0.57
GABRD O14764 6/20 0.57
GABRB1 P18505 6/20 0.57
GABRB2 P47870 6/20 0.57
GABRE P78334 6/20 0.57
GABRG1 Q8N1C3 6/20 0.57
GABRG3 Q99928 6/20 0.57
GABRQ Q9UN88 6/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
PDE5A O76074 2/20 0.57

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
SCHEMBL2014349 0.85 GABRP (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1427311 0.79 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL674216 0.73 ERBB2 (0.48) ALDH1A1KDM4EHPGDHSD17B10AURKA
SCHEMBL15806833 0.73 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
Beta-Ccm SCHEMBL1066725 0.73 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Beta-Ccm SCHEMBL30480071 0.73 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6518381 0.72 AURKA (0.58) ALDH1A1KDM4EHPGDHSD17B10AURKA
SCHEMBL6524053 0.72 AURKA (0.58) ALDH1A1KDM4EHPGDHSD17B10AURKA
SCHEMBL10405046 0.72 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Beta-Ccm SCHEMBL28185000 0.72 GABRA1 (0.97) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 2256/4885GABRG2 3123/4885GABRB3 1614/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B GABRA1 2256/4885GABRG2 3123/4885GABRB3 1614/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B GABRA1 2256/4885GABRG2 3123/4885GABRB3 1614/4885

“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.