SCHEMBL422690

SCHEMBL422690

COC(=O)c1ccc(-c2cccn2C(=O)OC(C)(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TNK2 Q07912 1/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
SPR P35270 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TGFBR1 P36897 2/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL12248228 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1MAPK1PIK3R1PIK3CA
SCHEMBL29797726 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4EL3MBTL1PIK3R1
SCHEMBL23416984 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4EL3MBTL1PIK3R1
SCHEMBL23416936 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1PIK3R1PIK3CAKMT2A
SCHEMBL23416981 0.81 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CAKMT2A
SCHEMBL29797892 0.81 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CAKMT2A
SCHEMBL29797915 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1PIK3R1PIK3CAKMT2A
SCHEMBL24727886 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EPIK3R1PIK3CA
SCHEMBL16880609 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1KDM4EL3MBTL1PIK3R1
SCHEMBL23416942 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1KDM4EL3MBTL1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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 (2 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885MAPK1 162/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885MAPK1 162/4885

“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.