SCHEMBL2087904

SCHEMBL2087904

CCn1c(C)c(C(C)=O)sc1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 7/20 0.35
HPGD P15428 4/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 1/20 0.35
GSK3B P49841 5/20 0.34
GSK3A P49840 4/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 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
SCHEMBL11400671 0.85 LMNA (0.39) HSD17B10KDM4EL3MBTL1POLBALDH1A1
SCHEMBL2087785 0.74 POLB (0.44) KDM4EKMT2APOLBALDH1A1HPGD
SCHEMBL3905435 0.69 KMT2A (0.43) HSD17B10KDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL3904796 0.67 SMN1; SMN2 (0.42) HSD17B10L3MBTL1ALDH1A1GAAMAPT
SCHEMBL3912090 0.67 CA12 (0.41) HSD17B10L3MBTL1KMT2APOLBALDH1A1
SCHEMBL3903904 0.67 MAPT (0.39) HSD17B10L3MBTL1KMT2AALDH1A1GAA
SCHEMBL3912094 0.67 CA12 (0.41) HSD17B10L3MBTL1KMT2APOLBALDH1A1
SCHEMBL3904798 0.67 SMN1; SMN2 (0.42) HSD17B10L3MBTL1ALDH1A1GAAMAPT
SCHEMBL4272728 0.66 KMT2A (0.50) HSD17B10KDM4EL3MBTL1KMT2APOLB
SCHEMBL11410543 0.65 KMT2A (0.45) HSD17B10KDM4EL3MBTL1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP disclosed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US disclosed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1678171-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP disclosed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 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-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 HSD17B10 1426/4885KDM4E 2665/4885L3MBTL1 4058/4885

“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.