SCHEMBL1890897

SCHEMBL1890897

CC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APLNR P35414 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CA1 P00915 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ EPHX2 P34913 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
SCHEMBL1525004 0.83 CYP2A6 (0.36) ALDH1A1CYP2A6KDM4EMAPK1CYP19A1
SCHEMBL7197126 0.78 MAPK1 (0.31) MAPK1
SCHEMBL23563100 0.77 ALOX5AP (0.32) —
SCHEMBL30015455 0.77 ALOX5AP (0.32) —
SCHEMBL3509480 0.76 GBA1 (0.33) ALDH1A1KDM4E
SCHEMBL4283998 0.75 CYP2A6 (0.42) ALDH1A1CYP2A6KDM4EMAPK1CA1
SCHEMBL614621 0.74 PREP (0.47) ALDH1A1CYP2A6KDM4EAPLNRMAPK1
SCHEMBL16335428 0.73 APLNR (0.33) ALDH1A1KDM4EAPLNR
SCHEMBL3047470 0.73 DUT (0.33) ALDH1A1KDM4EAPLNRIDO1
SCHEMBL1738300 0.73 CYP2A6 (0.40) ALDH1A1CYP2A6KDM4EMAPK1CA1

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 17 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-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 — — EP disclosed
CN-104059066-A Diazacarbazoles And Methods Of Use GENENTECH INC 2014-09-24 — — CN 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
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

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 ALDH1A1 570/4885CYP2A6 4212/4885KDM4E 1462/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 ALDH1A1 220/4885CYP2A6 1402/4885KDM4E 1064/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 ALDH1A1 220/4885CYP2A6 1402/4885KDM4E 1064/4885

“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.

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