SCHEMBL12760739

SCHEMBL12760739

OCCCc1cn(-c2ccc(Br)cc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ MIF P14174 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL20639902 0.83 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL20046238 0.81 MAOA (0.68) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL17978524 0.79 PTGS2 (0.51) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL15060974 0.79 MIF (0.71) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL15892523 0.77 NOTUM (0.49) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL13527245 0.77 MIF (0.69) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL22873389 0.76 MAOA (0.64) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL21156928 0.76 MIF (0.52) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL13527022 0.76 MIF (0.52) NOTUMJAK2ROCK2GSK3BMIF
SCHEMBL17978627 0.75 MIF (0.51) NOTUMJAK2ROCK2GSK3BMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity ABIVAX (FR) 2020-01-21 — — US disclosed
US-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY ABIVAX (FR) 2018-05-10 — — US disclosed
US-9890112-B2 Compounds for use as therapeutic agents affecting p53 expression and/or activity ABIVAX (FR) 2018-02-13 — — US disclosed
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIETE SPLICOS (FR) 2014-07-24 — — US disclosed
EP-2694061-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY Société Splicos (FR) 2014-02-12 — — EP disclosed
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 — — WO disclosed
EP-2505198-A1 Compounds for use as therapeutic agents affecting p53 expression and/or activity Société Splicos (FR) 2012-10-03 — — EP 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-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, TP53BP1, BCOR NOTUM 3893/4885JAK2 1752/4885ROCK2 3050/4885
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity TP53, TP53BP1, BCOR NOTUM 3893/4885JAK2 1752/4885ROCK2 3050/4885
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, CBR3, TP53BP1 NOTUM 4282/4885JAK2 2100/4885ROCK2 3604/4885

“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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