SCHEMBL3204027

SCHEMBL3204027

Cc1c(-c2ccnc(Nc3ccc(CC(=O)N4CCN(C)CC4)cc3)n2)c(C)n2c1C(=O)NCC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.50
TYK2 P29597 1/20 0.46
IGF1R P08069 1/20 0.43
SYK P43405 7/20 0.42
CDK2 P24941 2/20 0.42
CDK1 P06493 1/20 0.42
JAK2 O60674 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL3192460 0.93 CDK2 (0.46) BRD4TYK2IGF1RCDK2CDK1
SCHEMBL3216553 0.91 PTK2 (0.45) BRD4TYK2SYKCDK2JAK2
SCHEMBL1411727 0.88 IKBKB (0.46) CDK2CDK1JAK2CCNT1CDK7
SCHEMBL3201287 0.87 CDK2 (0.44) TYK2CDK2CDK1JAK2CCNT1
SCHEMBL3201699 0.86 CDK2 (0.41) IGF1RCDK2CDK1CCNT1CDK7
SCHEMBL3203746 0.85 NEK2 (0.40) IGF1RSYKCDK2CDK1CCNT1
SCHEMBL1414990 0.84 IGF1R (0.47) IGF1RSYKJAK2ABL1BCR
SCHEMBL3203537 0.82 CDK2 (0.51) SYKCDK2CDK1JAK2CCNT1
SCHEMBL1411782 0.82 RET (0.38) SYKCDK2CDK1JAK2CCNT1
SCHEMBL1411611 0.82 IKBKB (0.49) BRD4IGF1RCDK2CDK1JAK2

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 BRD4 1275/4885TYK2 368/4885IGF1R 1137/4885

“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.