SCHEMBL3202839

SCHEMBL3202839

[c]1ccc(-c2cn3c(n2)SCC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.71
KMT2A Q03164 8/20 0.71
MEN1 O00255 7/20 0.71
TP53 P04637 1/20 0.71
GLA P06280 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
GAA P10253 2/20 0.68
GFER P55789 1/20 0.68
LMNA P02545 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
NSD2 O96028 1/20 0.58
ALPL P05186 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL9742712 0.81 MAPT (0.72) MAPTKMT2AMEN1TP53GLA
SCHEMBL4424341 0.74 KMT2A (0.70) MAPTKMT2AMEN1TP53GLA
SCHEMBL8091839 0.71 NPC1 (0.59) MAPTKMT2AMEN1TP53GLA
SCHEMBL14062036 0.69 MAPT (0.64) MAPTKMT2AMEN1TP53GLA
SCHEMBL8339941 0.66
SCHEMBL7181038 0.66 MAPT (0.49) MAPTKMT2AMEN1TP53GLA
SCHEMBL925818 0.62 MAPT (0.47) MAPTKMT2AMEN1TP53GLA
SCHEMBL13248348 0.62 MAPT (0.49) MAPTKMT2AMEN1TP53GLA
SCHEMBL6947543 0.60 MAPT (0.45) MAPTKMT2AMEN1TP53GLA
SCHEMBL4781521 0.59 NPC1 (0.61) MAPTKMT2AMEN1TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US claimed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US claimed
EP-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 EP claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 WO claimed
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US disclosed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US disclosed
EP-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 EP disclosed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 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-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYP2A13, NR1I3, NR3C2 MAPT 4582/4885KMT2A 4109/4885MEN1 3835/4885

“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.