SCHEMBL490089

SCHEMBL490089

COc1ccc(-c2[nH]c3ncc(C4CC4)nc3c2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 13/20 0.59
CDK1 P06493 13/20 0.59
CCNB1 P14635 13/20 0.59
GSK3A P49840 13/20 0.59
GSK3B P49841 13/20 0.59
CCNB3 Q8WWL7 13/20 0.59
CDK5 Q00535 10/20 0.59
CDK5R1 Q15078 10/20 0.59
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
ZAP70 P43403 1/20 0.43
PTK2B Q14289 1/20 0.43
MAPK1 P28482 1/20 0.40
LIG1 P18858 1/20 0.39
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 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
Bromide SCHEMBL490386 0.84 GSK3B (0.56) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL490775 0.74 CCNB2 (1.00) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL16838740 0.67 NOTUM (0.46)
SCHEMBL22467540 0.66 TLR7 (0.54) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL1778294 0.64 CCNB2 (0.65) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7491318 0.63 CCNB2 (0.59) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL19260963 0.63 JAK2 (0.43) MAPK1JAK2JAK1JAK3
SCHEMBL28176774 0.62 HTR6 (0.42)
SCHEMBL28753690 0.62 CDK1 (0.71) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10086343 0.62 DRD2 (0.46)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106050-B2 6-[1-(4-Chlorophenyl)-1-cyclopropyl][5H]pyrrolo[2,3-b]pyrazine; cyclin-dependent kinases and glycogen synthase kinase-3 inhibitor; antiproliferative, anticarcinogenic agent; neurodegenerative disorders; controlling the cell cycle apoptosis, neuronal functions, transcription and exocytosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-01-31 US disclosed
US-20080161312-A1 Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-07-03 US disclosed
EP-1388541-A1 Pyrrolopyrazines as kinase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-02-11 EP 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-20080161312-A1 Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications CDK2, PLK2, CDK5 CCNB2 173/4885CDK1 39/4885CCNB1 114/4885

“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.