SCHEMBL1427337

SCHEMBL1427337

CCOc1cc(Br)ccc1CN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 3/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 6/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 5/20 0.46
CYP2A13 Q16696 1/20 0.43
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1427340 1.00 HTT (0.58) HTTLMNARECQLSMN1; SMN2TSHR
SCHEMBL1896256 0.78 KDM4E (0.54) HTTLMNARECQLSMN1; SMN2TSHR
SCHEMBL29390752 0.78 KDM4E (0.54) HTTLMNARECQLSMN1; SMN2TSHR
SCHEMBL1427948 0.78 TDP1 (0.65) SMN1; SMN2TSHRKDM4ETDP1ALDH1A1
SCHEMBL1427258 0.78 KDM4E (0.54) HTTLMNARECQLSMN1; SMN2TSHR
SCHEMBL13572688 0.78 KDM4E (0.54) HTTLMNARECQLSMN1; SMN2TSHR
SCHEMBL578799 0.70 KDM4E (0.53) HTTLMNAKDM4ETDP1ALDH1A1
SCHEMBL9163392 0.70 KDM4E (0.53) HTTLMNAKDM4ETDP1ALDH1A1
SCHEMBL578456 0.70 KDM4E (0.53) HTTLMNAKDM4ETDP1ALDH1A1
SCHEMBL9390979 0.70 KDM4E (0.53) HTTLMNAKDM4ETDP1ALDH1A1

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 20 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-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-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
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
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-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 US 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-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 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
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

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 HTT 4784/4885LMNA 1144/4885RECQL 272/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 HTT 4494/4885LMNA 2307/4885RECQL 22/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 HTT 4494/4885LMNA 2307/4885RECQL 22/4885

“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.