SCHEMBL3203746

SCHEMBL3203746

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.40
CDK2 P24941 9/20 0.39
CDK4 P11802 6/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
IGF1R P08069 1/20 0.38
KCNH2 Q12809 1/20 0.38
SYK P43405 4/20 0.37
IKBKB O14920 5/20 0.37
AURKA O14965 1/20 0.37
CDK1 P06493 1/20 0.37
AURKB Q96GD4 1/20 0.37
CHUK O15111 4/20 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
SCHEMBL1411782 0.91 RET (0.38) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1411727 0.90 IKBKB (0.46) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1411691 0.89 SYK (0.38) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL3201287 0.89 CDK2 (0.44) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL5140980 0.89 CDK2 (0.35) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL3201699 0.89 CDK2 (0.41) NEK2CDK2CDK4CDK7CDK9
SCHEMBL3204027 0.85 BRD4 (0.50) CDK2CDK7CDK9CCNT1IGF1R
SCHEMBL3192460 0.85 CDK2 (0.46) NEK2CDK2CDK4CDK7CDK9
SCHEMBL3216553 0.85 PTK2 (0.45) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1412198 0.84 CDK2 (0.50) 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 12 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
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

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 NEK2 2575/4885CDK2 577/4885CDK4 657/4885

“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.