SCHEMBL2084815

SCHEMBL2084815

Cc1[nH]c(=O)sc1C(=O)C=CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
MAPT P10636 7/20 0.44
ALDH1A1 P00352 8/20 0.43
RAB9A P51151 7/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 2/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL2084813 1.00 POLB (0.49) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL10610156 0.81 MC4R (0.31)
SCHEMBL9519626 0.70 GPR35 (0.37) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL2075578 0.69 POLB (0.47) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL2075580 0.69 POLB (0.47) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL14955176 0.68 ALDH1A1 (0.61) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL2076090 0.68 ALDH1A1 (0.61) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL2087788 0.66 POLB (0.44) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL2087785 0.66 POLB (0.44) POLBMAPTALDH1A1RAB9AKMT2A
SCHEMBL4159119 0.66 ALDH1A1 (0.58) POLBMAPTALDH1A1RAB9AKMT2A

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 POLB 759/4885MAPT 2989/4885ALDH1A1 2669/4885

“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.