SCHEMBL12674281

SCHEMBL12674281

Cn1cc(-c2cnc3[nH]c4cnc(C(=O)O)cc4c3c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.64
ACHE P22303 4/20 0.51
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
KMT2A Q03164 1/20 0.49
ALK Q9UM73 3/20 0.46

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
SCHEMBL12666733 0.83 CHEK1 (0.69) CHEK1ACHEMAPT
SCHEMBL12666721 0.81 CHEK1 (0.56) CHEK1ACHEGABRPGABRDGABRA1
SCHEMBL12666260 0.80 CHEK1 (0.66) CHEK1ACHE
SCHEMBL1428187 0.78 CHEK1 (1.00) CHEK1ACHEALK
SCHEMBL12666705 0.77 MAPT (0.64) CHEK1ACHEALKMAPT
SCHEMBL9284633 0.75 ALK (0.56) ALK
SCHEMBL13572850 0.73 ALK (0.43) CHEK1ACHEALKMAPTMAP4K4
SCHEMBL1427647 0.72 CHEK1 (0.58) CHEK1ACHEGABRPGABRDGABRA1
SCHEMBL2108962 0.72 CCNC (0.56) CHEK1MAPTMAP4K4KDM4EALDH1A1
SCHEMBL1427592 0.72 CHEK1 (0.56) CHEK1ACHEALKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
EP-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 EP disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US 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 (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-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHEK1 1/4885ACHE 4058/4885GABRP 2526/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 CHEK1 207/4885ACHE 1733/4885GABRP 2985/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 CHEK1 207/4885ACHE 1733/4885GABRP 2985/4885

“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.