SCHEMBL490956

SCHEMBL490956

CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2nccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 17/20 1.00
CCNB2 O95067 16/20 1.00
CCNB1 P14635 16/20 1.00
CCNB3 Q8WWL7 16/20 1.00
GSK3B P49841 16/20 1.00
GSK3A P49840 15/20 1.00
CDK5 Q00535 12/20 1.00
CDK5R1 Q15078 11/20 1.00
GCGR P47871 1/20 0.43
MAPK8 P45983 3/20 0.41
AURKA O14965 2/20 0.41
MAP4K4 O95819 2/20 0.41
PAK4 O96013 2/20 0.41
ABL1 P00519 2/20 0.41
FYN P06241 2/20 0.41
RET P07949 2/20 0.41
KDR P35968 2/20 0.41
CDK8 P49336 2/20 0.41
ACVR1 Q04771 2/20 0.41
PTK2 Q05397 2/20 0.41

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
SCHEMBL31069480 1.00 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL16705135 0.85 GSK3A (0.74) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL1777366 0.84 GSK3A (0.73) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL490964 0.82 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL490581 0.80 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL490878 0.71 GSK3A (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL13950079 0.71 GSK3A (0.60) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL490985 0.70 CDK1 (0.57) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL14506380 0.70 CCNB2 (0.53) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL490764 0.69 GSK3A (1.00) CDK1CCNB2CCNB1CCNB3GSK3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
US-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
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 (2 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 CDK1 39/4885CCNB2 173/4885CCNB1 114/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 CDK1 3063/4885CCNB2 4774/4885CCNB1 4743/4885

“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.