SCHEMBL1108280

SCHEMBL1108280

Cc1nccc(-c2coc(C=O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DNMT3B Q9UBC3 2/20 0.32
AAK1 Q2M2I8 7/20 0.32
KMO O15229 1/20 0.32
MAPK1 P28482 1/20 0.32
CDK2 P24941 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL1097124 0.82 KMO (0.36) ALDH1A1AAK1KMO
SCHEMBL27605066 0.73 CYP2A6 (0.43) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL1108276 0.72 CYP2E1 (0.43) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL10230445 0.71 MAPT (0.48) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL1108278 0.71 KDM4E (0.45) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL27605093 0.68 ERN1 (0.43) ALDH1A1LMNAMAPTDYRK1A
SCHEMBL9355962 0.68 KDM4E (0.53) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL17051402 0.68 KDM4E (0.51) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL17465919 0.66 KDM4E (0.54) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL27115830 0.66 KDM4E (0.54) KDM4EALDH1A1POLBLMNAMAPT

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
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CELL THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 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-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KDM4E 1886/4885ALDH1A1 1035/4885POLB 38/4885
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KDM4E 1886/4885ALDH1A1 1035/4885POLB 38/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KDM4E 1886/4885ALDH1A1 1035/4885POLB 38/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KDM4E 1886/4885ALDH1A1 1035/4885POLB 38/4885

“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.