SCHEMBL1372875

SCHEMBL1372875

c1cc(NC2CCOCC2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
LRRK2 Q5S007 6/20 0.43
HRH4 Q9H3N8 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
FYN P06241 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
ERN1 O75460 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
RET P07949 1/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 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
SCHEMBL15535818 0.87
SCHEMBL30089564 0.72 MAPK1 (0.53) MAPK1LRRK2HRH4MKNK1FYN
SCHEMBL1374239 0.71 PKM (0.32)
SCHEMBL1370164 0.71 MAPK1 (0.49) MAPK1LRRK2MKNK1FYNJAK2
SCHEMBL28643622 0.69 MAPK1 (0.40) MAPK1LRRK2CDK7CDK9
SCHEMBL13827579 0.69 MAPK1 (0.46) MAPK1LRRK2PIM1PIK3CA
SCHEMBL17643578 0.68 DAO (0.42) LRRK2MAP4K4DYRK1A
Hydrochloric Acid SCHEMBL1369979 0.68 MAPK1 (0.45) MAPK1LRRK2PIM1PIK3CA
SCHEMBL632436 0.67 MAPK1 (0.52) MAPK1LRRK2MKNK1MKNK2
SCHEMBL2568620 0.66 MAPK1 (1.00) MAPK1LRRK2HRH4MKNK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 US disclosed
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
WO-2010087515-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 US 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 (4 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-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885LRRK2 2117/4885HRH4 2029/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885LRRK2 2117/4885HRH4 2029/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885LRRK2 2117/4885HRH4 2029/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885LRRK2 2117/4885HRH4 2029/4885

“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.