SCHEMBL490489

SCHEMBL490489

COc1cc(OC)cc(-c2cc3nccnc3[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 18/20 1.00
CDK1 P06493 18/20 1.00
CCNB1 P14635 18/20 1.00
CCNB3 Q8WWL7 18/20 1.00
GSK3B P49841 16/20 1.00
GSK3A P49840 14/20 1.00
CDK5 Q00535 10/20 0.74
CDK5R1 Q15078 10/20 0.74
JAK2 O60674 1/20 0.50
LCK P06239 1/20 0.50
IGF1R P08069 1/20 0.50
CDK7 P50613 1/20 0.50
BTK Q06187 1/20 0.50
LRRK2 Q5S007 1/20 0.50
AURKB Q96GD4 1/20 0.50
RIPK1 Q13546 1/20 0.50
FYN P06241 1/20 0.48

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
SCHEMBL490667 0.85 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491031 0.84 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490606 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780850 0.76 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490777 0.74 CCNB2 (0.72) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL7258312 0.73 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778516 0.73 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6279300 0.73 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778471 0.72 CCNB2 (0.71) 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 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.