SCHEMBL490088

SCHEMBL490088

COc1ccc(-c2[nH]c3nccnc3c2C2(C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 18/20 0.63
CDK1 P06493 18/20 0.63
CCNB1 P14635 18/20 0.63
CCNB3 Q8WWL7 18/20 0.63
GSK3A P49840 17/20 0.63
GSK3B P49841 17/20 0.63
CDK5 Q00535 14/20 0.63
CDK5R1 Q15078 14/20 0.63
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
ZAP70 P43403 1/20 0.54
PTK2B Q14289 1/20 0.54
RIPK1 Q13546 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
SCHEMBL491139 0.94 CCNB2 (0.59) CCNB2CDK1CCNB1CCNB3GSK3A
Bromide SCHEMBL490385 0.83 GSK3A (0.59) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490985 0.78 CDK1 (0.57) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490775 0.77 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL28753690 0.76 CDK1 (0.71) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490964 0.74 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4938633 0.72 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3GSK3A
Aloisine SCHEMBL79714 0.70 GSK3A (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
Iodide SCHEMBL1779435 0.70 GSK3A (0.69) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490953 0.70 GSK3A (1.00) CCNB2CDK1CCNB1CCNB3GSK3A

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.