SCHEMBL1428033

SCHEMBL1428033

Cn1cc(-c2ccnc3c2c2cc(Br)ncc2n3COCC[Si](C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.38
▸ AURKA O14965 3/20 0.36
▸ AURKB Q96GD4 3/20 0.36
▸ INCENP Q9NQS7 3/20 0.36
▸ TPX2 Q9ULW0 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MET P08581 4/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ BRD4 O60885 7/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ ACVR2A P27037 1/20 0.31
▸ AXL P30530 1/20 0.30

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
SCHEMBL2016924 0.81 MAPT (0.40) DGAT1MAPTNPC1
SCHEMBL2015933 0.75 NPC1 (0.43) DGAT1MAPTNPC1
SCHEMBL17967614 0.74 MAPT (0.39) DGAT1MAPTNPC1CCNCCDK8
SCHEMBL1427439 0.73 CHEK1 (0.39) MAPTNPC1
SCHEMBL20744453 0.71 DGAT1 (0.38) DGAT1AURKAAURKBINCENPTPX2
SCHEMBL16608588 0.71 DGAT1 (0.40) DGAT1BRD4
SCHEMBL29870445 0.71 DGAT1 (0.38) DGAT1AURKAAURKBINCENPTPX2
SCHEMBL8181971 0.70 BRD4 (0.46) DGAT1AURKAAURKBINCENPTPX2
SCHEMBL1427629 0.70 MAPT (0.36) DGAT1MAPTMETNPC1BRD4
SCHEMBL1427695 0.70 DGAT1 (0.33) DGAT1MAPTMET

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 9 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
EP-2706059-A1 Diazacarbazoles and methods of use Genentech, Inc. (US) 2014-03-12 — — 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
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

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 DGAT1 1960/4885AURKA 44/4885AURKB 20/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 DGAT1 3239/4885AURKA 2074/4885AURKB 1069/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 DGAT1 3239/4885AURKA 2074/4885AURKB 1069/4885

“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.

Send feedback