SCHEMBL490606

SCHEMBL490606

COc1cc(-c2cc3nccnc3[nH]2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 16/20 1.00
CDK1 P06493 16/20 1.00
CCNB1 P14635 16/20 1.00
CCNB3 Q8WWL7 16/20 1.00
GSK3B P49841 14/20 1.00
GSK3A P49840 13/20 1.00
CDK5 Q00535 9/20 0.61
CDK5R1 Q15078 9/20 0.61
BRD4 O60885 3/20 0.53
SYK P43405 1/20 0.47

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
SCHEMBL1780850 0.83 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490489 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL12606356 0.78 RIPK1 (0.70) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL7258312 0.77 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778516 0.77 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6279300 0.77 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490667 0.76 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL2447762 0.76 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778430 0.76 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL5072622 0.74 CCNB2 (0.59) CCNB2CDK1CCNB1CCNB3GSK3B

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 2 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

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.