SCHEMBL16862986

SCHEMBL16862986

CC(=O)c1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.68
▸ HSPA1A P0DMV8 1/20 0.65
▸ PABPC1 P11940 1/20 0.65
▸ DPP4 P27487 1/20 0.54
▸ TYMS P04818 3/20 0.52
▸ AHR P35869 1/20 0.51
▸ CA9 Q16790 3/20 0.50
▸ CA12 O43570 2/20 0.50
▸ SCN2A Q99250 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL9571719 0.88 HSPA1A (0.69) ADORA2AHSPA1APABPC1DPP4TYMS
SCHEMBL13479534 0.85 ADORA2A (0.63) ADORA2AHSPA1APABPC1DPP4TYMS
SCHEMBL18132358 0.82 CA9 (0.71) CA9CA12SCN2ACA1CA2
SCHEMBL31061260 0.81 ADORA2A (1.00) ADORA2AHSPA1APABPC1DPP4AHR
SCHEMBL9566604 0.81 HSPA1A (0.77) ADORA2AHSPA1APABPC1DPP4AHR
SCHEMBL14881886 0.80 KDM4E (0.57) TYMSAHRCA9CA12SCN2A
SCHEMBL11513204 0.79 HSPA1A (1.00) ADORA2AHSPA1APABPC1DPP4TYMS
SCHEMBL31259838 0.79 HSPA1A (1.00) ADORA2AHSPA1APABPC1DPP4TYMS
SCHEMBL16589414 0.79 CA9 (0.75) CA9CA12SCN2ACA1CA2
SCHEMBL9566623 0.78 HSPA1A (0.73) ADORA2AHSPA1APABPC1DPP4TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087069-B1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE BV (NL) 2019-01-30 — — EP disclosed
US-9969687-B2 Compounds useful as CCR9 modulators NORGINE B.V. (NL) 2018-05-15 — — US disclosed
US-20170001959-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2017-01-05 — — US disclosed
US-20170001959-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2017-01-05 — — US disclosed
EP-3087069-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS Norgine BV (NL) 2016-11-02 — — EP disclosed
WO-2015097121-A9 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-09-03 — — WO disclosed
WO-2015097121-A9 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-09-03 — — WO disclosed
WO-2015097121-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-07-02 — — WO disclosed
WO-2015097121-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-07-02 — — 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 (1 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-20170001959-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS CCR9, CCR1, CCR10 ADORA2A 349/4885HSPA1A 2702/4885PABPC1 3114/4885

“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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