SCHEMBL2406007

SCHEMBL2406007

Nc1cccnc1OCC(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
IDO1 P14902 1/20 0.39
PSMB5 P28074 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM4 Q14833 2/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 3/20 0.34
ALOX5AP P20292 5/20 0.33
FEN1 P39748 5/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL16152232 0.79 MEN1 (0.43) MEN1KMT2AHTTKDM4ENPC1
SCHEMBL2368919 0.79 HCRTR2 (0.39) GRM4
SCHEMBL30259181 0.79 HCRTR2 (0.39) GRM4
SCHEMBL2368539 0.77 ALOX5AP (0.45) MEN1KMT2AGRM4LMNAALOX5AP
SCHEMBL2368323 0.76 MKNK2 (0.39) GRM4ALOX5APFEN1
SCHEMBL6304816 0.75 SYK (0.39) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL2369269 0.73 ALDH1A1 (0.52) HSP90AA1IDO1MEN1KMT2AHTT
SCHEMBL28696981 0.72 KMT2A (0.39) HSP90AA1HSP90AB1MEN1KMT2AGRM4
SCHEMBL1647418 0.72 ALDH1A1 (0.50) NPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL31700841 0.72 NOS3 (0.34) HSP90AA1HSP90AB1IDO1PSMB5MEN1

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-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104340-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 HSP90AA1 1978/4885HSP90AB1 1578/4885IDO1 3303/4885

“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.