SCHEMBL16440280

SCHEMBL16440280

CCN1CCN(CCNC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA9 Q16790 5/20 0.53
▸ ESR1 P03372 1/20 0.51
▸ FOLH1 Q04609 2/20 0.51
▸ ALB P02768 1/20 0.51
▸ SLC5A2 P31639 2/20 0.48
▸ HAVCR2 Q8TDQ0 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA7 P43166 1/20 0.47

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
SCHEMBL21100824 0.95 USP2 (0.55) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL19223217 0.92 USP2 (0.53) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL23258882 0.87 USP2 (0.63) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL10153957 0.86 USP2 (0.66) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL13287065 0.85 USP2 (0.60) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL16153102 0.85 USP2 (0.64) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL15143443 0.84 USP2 (0.63) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL9906230 0.84 USP2 (0.66) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL17346851 0.84 FOLH1 (0.60) USP2L3MBTL1CA9ESR1FOLH1
SCHEMBL15143488 0.83 USP2 (0.62) USP2L3MBTL1CA9ESR1FOLH1

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
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 — — US disclosed
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 — — US disclosed
US-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-10 — — US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — US disclosed
WO-2016094628-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — WO disclosed
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 — — US disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 — — WO disclosed
WO-2015017502-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-02-05 — — 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 (5 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-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN USP2 3656/4885L3MBTL1 3724/4885CA9 4773/4885
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK USP2 3499/4885L3MBTL1 2409/4885CA9 4840/4885
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS BTK, SYK, LYN USP2 2068/4885L3MBTL1 565/4885CA9 4430/4885
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN USP2 3656/4885L3MBTL1 3724/4885CA9 4773/4885
US-10012650-B2 Assays for BTK inhibitors BTK, SYK, LYN USP2 2068/4885L3MBTL1 565/4885CA9 4430/4885

“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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