SCHEMBL3208140

SCHEMBL3208140

Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)c(C)n2c1C(=O)NCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.53
CDK2 P24941 6/20 0.52
CDK4 P11802 2/20 0.52
CAMK2D Q13557 6/20 0.52
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
CDK1 P06493 2/20 0.47
SMG1 Q96Q15 2/20 0.47
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
CSNK2A1 P68400 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNB1 P14635 1/20 0.43
XBP1 P17861 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL14817436 0.90 PIK3CA (0.52) EIF2AK2CDK2CDK4CAMK2DABL1
SCHEMBL14546731 0.89 CDK2 (0.43) EIF2AK2CDK2CDK4CAMK2DABL1
SCHEMBL1415035 0.89 CDK2 (0.54) EIF2AK2CDK2CDK4CAMK2DABL1
SCHEMBL13486463 0.88 CDC7 (0.47) EIF2AK2CDK2CDK4CAMK2DABL1
SCHEMBL1412211 0.87 CDK4 (0.44) EIF2AK2CDK2CDK4CCNT1MAPK1
SCHEMBL1412243 0.86 JAK2 (0.49) ABL1BCRPLK1
SCHEMBL3201188 0.86 JAK2 (0.50) EIF2AK2CDK2CDK4
SCHEMBL13486460 0.86 ABL1 (0.52) CDK2CDK4CAMK2DABL1BCR
SCHEMBL1411721 0.86 ABL1 (0.45) CDK2CDK4CAMK2DABL1BCR
SCHEMBL3214333 0.86 CDK9 (0.51) CDK2ABL1CDK1SMG1CCNT1

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 EIF2AK2 1122/4885CDK2 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.