SCHEMBL1411971

SCHEMBL1411971

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.47
CDK4 P11802 7/20 0.47
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNT1 O60563 1/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CB P42338 2/20 0.45
IKBKB O14920 3/20 0.42
CHUK O15111 3/20 0.42
BRD4 O60885 1/20 0.41
MAP2K1 Q02750 2/20 0.40
MAPK1 P28482 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
CCNE1 P24864 2/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 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 0.93 IKBKB (0.49) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1411984 0.91 CDK2 (0.53) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL3203537 0.91 CDK2 (0.51) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL13486463 0.90 CDC7 (0.47) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1412198 0.89 CDK2 (0.50) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1411687 0.89 EIF2AK2 (0.51) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1412209 0.89 IKBKB (0.49) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1412063 0.88 IKBKB (0.53) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1412075 0.88 CDK2 (0.51) CDK2CDK4CDK7CDK9CCNT1
SCHEMBL1411965 0.88 CAMK2D (0.48) 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 13 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
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
EP-1940846-B1 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS CYCLACEL LTD (GB) 2011-03-16 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 657/4885CDK7 1437/4885

“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.