SCHEMBL2369269

SCHEMBL2369269

O=[N+]([O-])c1cccnc1OCC(CO)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 8/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
CTSB P07858 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
BRD4 O60885 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ALOX12 P18054 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL5797530 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2368536 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2368431 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28201954 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2368739 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2068721 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31700838 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6376744 0.76 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9850801 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10522426 0.76 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ANPC1RAB9A

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
EP-2539343-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP 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
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 ALDH1A1 3994/4885MEN1 1312/4885KMT2A 769/4885

“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.