SCHEMBL1428126

SCHEMBL1428126

Clc1cc2c(cn1)[nH]c1ncc(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.63
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
AURKA O14965 3/20 0.41
JAK2 O60674 3/20 0.41
MAP4K4 O95819 3/20 0.41

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
SCHEMBL1428021 0.83 CHEK1 (0.67) CHEK1AURKAJAK2MAP4K4FGFR1
SCHEMBL1427561 0.80 CHEK1 (0.63) CHEK1AURKAJAK2MAP4K4FGFR1
SCHEMBL473757 0.80 GABRA1 (0.50) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL1427657 0.80 CHEK1 (0.63) CHEK1AURKAJAK2MAP4K4FGFR1
SCHEMBL12395870 0.80 CHEK1 (0.63) CHEK1AURKAJAK2MAP4K4FGFR1
SCHEMBL25036985 0.79 CHEK1 (0.54) CHEK1AURKAJAK2MAP4K4FGFR1
SCHEMBL1427390 0.78 CHEK1 (1.00) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL18224483 0.77 GABRP (0.50) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL12395871 0.76 CHEK1 (0.58) CHEK1AURKAJAK2MAP4K4FGFR1
SCHEMBL1428061 0.76 CHEK1 (0.58) CHEK1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 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-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
CN-102119163-A Diazacarbazoles and methods of use GENENTECH INC 2011-07-06 CN 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
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
EP-2300475-A1 DIAZACARBAZOLES AND METHODS OF USE Genentech, Inc. (US) 2011-03-30 EP disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 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 (4 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-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHEK1 1/4885GABRP 2526/4885GABRD 2594/4885
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHEK1 1/4885GABRP 2825/4885GABRD 2986/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHEK1 1/4885GABRP 2825/4885GABRD 2986/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 CHEK1 207/4885GABRP 2985/4885GABRD 1761/4885

“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.