SCHEMBL491260

SCHEMBL491260

CCCCCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 18/20 1.00
GSK3B P49841 18/20 1.00
CDK1 P06493 17/20 1.00
CCNB2 O95067 16/20 1.00
CCNB1 P14635 16/20 1.00
CCNB3 Q8WWL7 16/20 1.00
CDK5 Q00535 13/20 0.91
CDK5R1 Q15078 12/20 0.91
CDK2 P24941 3/20 0.91
CCNE1 P24864 2/20 0.91
ZAP70 P43403 1/20 0.91
PTK2B Q14289 1/20 0.91
MAPK8 P45983 3/20 0.66
CCNE2 O96020 1/20 0.66
INSR P06213 1/20 0.66
CFTR P13569 1/20 0.66
CCNA2 P20248 1/20 0.66
MAPK3 P27361 1/20 0.66
MAPK1 P28482 1/20 0.66
MAPK9 P45984 1/20 0.66

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
Aloisine SCHEMBL79714 0.95 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL490953 0.88 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL13926127 0.82 GSK3A (0.80) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL490878 0.80 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
Aloisine A SCHEMBL80147 0.80 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777822 0.80 GSK3A (0.72) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL6852911 0.79 GSK3A (0.67) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777268 0.78 GSK3A (0.69) GSK3AGSK3BCDK1CCNB2CCNB1
Iodide SCHEMBL1779435 0.78 GSK3A (0.69) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL491113 0.78 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1

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 GSK3A 656/4885GSK3B 599/4885CDK1 39/4885

“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.