SCHEMBL1427490

SCHEMBL1427490

FC(F)(F)Oc1cc(Br)ccc1CN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 2/20 0.52
GFER P55789 1/20 0.52
CCR5 P51681 3/20 0.48
ADRA2A P08913 1/20 0.48
MCHR1 Q99705 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
PLA2G7 Q13093 1/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A3 Q01959 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL6603682 0.87 ADRA2A (0.47) KDM4ETDP1TSHRGFERCCR5
SCHEMBL24192354 0.86 ALDH1A1 (0.51) KDM4ETDP1CCR5ADRA2AMCHR1
SCHEMBL15094644 0.84 ADRA2A (0.47) KDM4ETDP1CCR5ADRA2AMCHR1
SCHEMBL6601098 0.83 ADRA2A (0.44) KDM4ETDP1TSHRGFERCCR5
SCHEMBL28171356 0.83 ADRA2A (0.46) KDM4ETDP1CCR5ADRA2AMCHR1
SCHEMBL15094084 0.82 MGLL (0.49) KDM4EADRA2AMCHR1PLA2G7MGLL
SCHEMBL1427564 0.81 KDM4E (0.83) KDM4ETDP1TSHRGFERCCR5
SCHEMBL6604508 0.79 KDM4E (0.80) KDM4ETDP1TSHRGFERCCR5
SCHEMBL24093239 0.79 DRD2 (0.60) KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL20195993 0.79 CYP2D6 (0.49) TSHRMGLLMAOAMEN1ALDH1A1

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 15 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-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-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-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
CN-102119163-A Diazacarbazoles and methods of use GENENTECH INC 2011-07-06 CN 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 (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 KDM4E 1462/4885TDP1 438/4885TSHR 3664/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 KDM4E 1064/4885TDP1 2107/4885TSHR 924/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 KDM4E 1064/4885TDP1 2107/4885TSHR 924/4885

“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.