SCHEMBL3203537

SCHEMBL3203537

Cc1c(-c2ccnc(Nc3ccc(O)cc3)n2)c(C)n2c1C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.51
CDK4 P11802 10/20 0.51
PLK1 P53350 7/20 0.48
AURKB Q96GD4 2/20 0.47
KDR P35968 1/20 0.47
PTK2 Q05397 1/20 0.47
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
SYK P43405 1/20 0.44
CCNA2 P20248 1/20 0.43
AURKA O14965 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
JAK2 O60674 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CDK1 P06493 1/20 0.39

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
SCHEMBL1411611 0.92 IKBKB (0.49) CDK2CDK4AURKBKDRPTK2
SCHEMBL1411971 0.91 CDK2 (0.47) CDK2CDK4AURKBKDRPTK2
SCHEMBL1411984 0.90 CDK2 (0.53) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL13486463 0.89 CDC7 (0.47) CDK2CDK4PLK1KDRPTK2
SCHEMBL1411965 0.89 CAMK2D (0.48) CDK2CDK4AURKBCDK7CDK9
SCHEMBL1415035 0.88 CDK2 (0.54) CDK2CDK4PLK1AURKBKDR
SCHEMBL1411687 0.88 EIF2AK2 (0.51) CDK2CDK4PLK1AURKBKDR
SCHEMBL1412198 0.88 CDK2 (0.50) CDK2CDK4AURKBCDK7CDK9
SCHEMBL1412209 0.88 IKBKB (0.49) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1412173 0.87 IKBKB (0.55) CDK2CDK4CDK7CDK9CCNT1

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 14 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-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-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US disclosed
EP-1940846-B9 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS CYCLACEL LTD (GB) 2012-09-12 EP 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
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
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
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 CDK2 577/4885CDK4 657/4885PLK1 4737/4885

“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.