SCHEMBL3747599

SCHEMBL3747599

O=C(O)n1nc(CBr)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.43
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM4A O75164 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
KDM6B O15054 1/20 0.42
KDM6A O15550 1/20 0.42
TET3 O43151 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
TET1 Q8NFU7 1/20 0.42
FTO Q9C0B1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.36
KDM5A P29375 1/20 0.36

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
SCHEMBL3092371 0.81 ELANE (0.49) ELANEKDM4DPTGDR2
SCHEMBL5484723 0.81 ELANE (0.42) ELANEKDM4EL3MBTL1KDM4CKDM4A
SCHEMBL29587624 0.80 POLB (0.41) ELANEKDM4E
SCHEMBL2883080 0.80 POLB (0.41) ELANEKDM4E
SCHEMBL29248280 0.80 ELANE (0.46) ELANEKDM4EL3MBTL1KDM4CKDM4A
SCHEMBL18705459 0.78 ELANE (0.47) ELANEKDM4EL3MBTL1KDM4CKDM4A
SCHEMBL13079006 0.77 KDM4E (0.47) ELANEKDM4EL3MBTL1KDM4CKDM4A
SCHEMBL3354784 0.76 ELANE (0.42) ELANEKDM4E
SCHEMBL2178657 0.76 L3MBTL1 (0.51) ELANEL3MBTL1PTGDR2
SCHEMBL13885709 0.74 KDM5A (0.41) ELANEL3MBTL1KDM4CKDM4DKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2018-12-12 EP disclosed
EP-3344619-A1 PHENOXYMETHYL DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-11 EP disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 WO disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
EP-2134711-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-12-23 EP disclosed
WO-2008122534-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 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 (2 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-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 ELANE 2191/4885KDM4E 302/4885L3MBTL1 2050/4885
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, NR3C2 ELANE 1527/4885KDM4E 4321/4885L3MBTL1 3901/4885

“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.