SCHEMBL2370549

SCHEMBL2370549

COc1ccc([C@@H](C)C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
ALOX5 P09917 2/20 0.54
PARP10 Q53GL7 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
PPARG P37231 1/20 0.51
PTGS2 P35354 4/20 0.50
PTGS1 P23219 2/20 0.50
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
TSHR P16473 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50

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
SCHEMBL2055565 1.00 EPHX1 (0.55) EPHX1ALOX5PARP10CA1CA2
SCHEMBL2169718 0.94 PARP10 (0.58) EPHX1ALOX5PARP10CA1CA2
SCHEMBL456155 0.90 ACACB (0.60) EPHX1ALOX5PARP10CA1CA2
SCHEMBL30760568 0.84 PTGS2 (0.73) ALOX5CA1CA2MAPTPTGS2
SCHEMBL30380801 0.84 PTGS2 (0.73) ALOX5CA1CA2MAPTPTGS2
SCHEMBL9119592 0.84 PTGS2 (0.73) ALOX5CA1CA2MAPTPTGS2
SCHEMBL263373 0.84 PTGS2 (0.73) ALOX5CA1CA2MAPTPTGS2
SCHEMBL1478228 0.84 PTGS2 (0.73) ALOX5CA1CA2MAPTPTGS2
SCHEMBL8834311 0.83 MEN1 (0.54) ALOX5CA1CA2MEN1KMT2A
SCHEMBL4593652 0.83 CA1 (0.57) EPHX1ALOX5PARP10CA1CA2

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-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 EPHX1 1677/4885ALOX5 4366/4885PARP10 679/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 EPHX1 1677/4885ALOX5 4366/4885PARP10 679/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 EPHX1 1677/4885ALOX5 4366/4885PARP10 679/4885

“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.