SCHEMBL491112

SCHEMBL491112

Cc1ccc(-c2cc3nccnc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 17/20 1.00
CDK1 P06493 17/20 1.00
CCNB1 P14635 17/20 1.00
CCNB3 Q8WWL7 17/20 1.00
GSK3B P49841 15/20 1.00
GSK3A P49840 12/20 1.00
CDK5 Q00535 11/20 1.00
CDK5R1 Q15078 10/20 1.00
ABL1 P00519 1/20 0.60
RET P07949 1/20 0.60
KDR P35968 1/20 0.60
CDK7 P50613 1/20 0.60
PRKAA1 Q13131 1/20 0.60
AURKB Q96GD4 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60

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
SCHEMBL1777737 0.83 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29913067 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779349 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780925 0.82 CCNB2 (0.70) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491100 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL489971 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29912855 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490933 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780235 0.81 CCNB2 (0.73) 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.