SCHEMBL2033730

SCHEMBL2033730

COC(=O)c1c(CBr)n(S(=O)(=O)c2ccccc2)c2ncc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.40
▸ PLA2G2A P14555 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ SRC P12931 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL2041243 0.89 PTGDR2 (0.41) PTGDR2MEN1KMT2AALDH1A1MAPK8
SCHEMBL2035534 0.88 PTGDR2 (0.41) PTGDR2PLA2G2AMEN1KMT2ANOD2
SCHEMBL2041118 0.85 PTGDR2 (0.47) PTGDR2PLA2G2AMEN1KMT2AALDH1A1
SCHEMBL12633898 0.84 PTGDR2 (0.40) PTGDR2PLA2G2AALDH1A1PSEN1PSEN2
SCHEMBL1427565 0.83 PTGDR2 (0.55) PTGDR2MEN1KMT2AMAPK8
SCHEMBL2040047 0.78 GLA (0.39) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL16208137 0.77 ENPP3 (0.41) PTGDR2ALDH1A1SRCLMNA
SCHEMBL1889325 0.75 PTGDR2 (0.47) PTGDR2MEN1KMT2ASRC
SCHEMBL13572616 0.74 PTGDR2 (0.56) PTGDR2MEN1KMT2AMAPK8
SCHEMBL2043551 0.73 PTGDR2 (0.47) PTGDR2PLA2G2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 — — EP disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 — — EP disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — WO disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — 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-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B PTGDR2 3629/4885PLA2G2A 4189/4885MEN1 738/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B PTGDR2 3629/4885PLA2G2A 4189/4885MEN1 738/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B PTGDR2 3629/4885PLA2G2A 4189/4885MEN1 738/4885

“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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