SCHEMBL10059342

SCHEMBL10059342

CN(C)CCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 14/20 1.00
CDK1 P06493 4/20 1.00
CCNB2 O95067 1/20 1.00
CCNB1 P14635 1/20 1.00
CCNB3 Q8WWL7 1/20 1.00
GSK3B P49841 16/20 0.90
CDK2 P24941 4/20 0.62
CDK5 Q00535 3/20 0.62
DYRK1A Q13627 3/20 0.62
CLK4 Q9HAZ1 3/20 0.62
CLK2 P49760 2/20 0.62
DYRK3 O43781 1/20 0.62
PRKCD Q05655 1/20 0.62
PKN2 Q16513 1/20 0.62
BRSK1 Q8TDC3 1/20 0.62
HIPK2 Q9H2X6 1/20 0.62
CSNK1G1 Q9HCP0 1/20 0.62
LIMK1 P53667 2/20 0.53
MAPK1 P28482 1/20 0.53
FLT4 P35916 1/20 0.53

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
Hydrochloric Acid SCHEMBL5403658 0.94 GSK3B (0.98) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL5404007 0.89 GSK3A (1.00) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL16704792 0.82 GSK3A (0.70) GSK3ACDK1CCNB2CCNB1CCNB3
Hydrochloric Acid SCHEMBL5395087 0.78 GSK3A (0.68) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL14553015 0.74 GSK3A (0.58) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL7255560 0.73 GSK3A (0.78) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL5829062 0.70 GSK3B (1.00) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL4289104 0.70 CDC7 (0.84) GSK3ACDK1GSK3BCDK2CDK5
SCHEMBL5390676 0.70 GSK3B (0.69) GSK3ACDK1GSK3BCDK2CDK5
SCHEMBL1934024 0.69 GSK3A (0.62) GSK3ACDK1CCNB2CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-07-14 US disclosed
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-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-20120009674-A1 Use of a GSK-3 Inhibitor to Maintain Potency of Cultured Cells ABT HOLDING COMPANY (US) 2012-01-12 US disclosed
US-20110184046-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2011-07-28 US disclosed
US-20110184046-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2011-07-28 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 (3 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-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION PTH1R, PHPT1, PTMS GSK3A 4522/4885CDK1 2227/4885CCNB2 2015/4885
US-20110184046-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes GSK3A, GSK3B, GSKIP GSK3A 1/4885CDK1 1035/4885CCNB2 2936/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 GSK3A 24/4885CDK1 3063/4885CCNB2 4774/4885

“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.