SCHEMBL22201937

SCHEMBL22201937

CC(C)c1cnc2[nH]nc(C(C)C)c2c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL19754775 0.82 LMNA (0.33) GSK3AGSK3B
SCHEMBL18925632 0.82 MAPK1 (0.35) GSK3AGSK3B
SCHEMBL27215058 0.81 DYRK1B (0.41) GSK3AGSK3B
SCHEMBL21893429 0.81 JAK2 (0.32) GSK3AGSK3B
SCHEMBL1496185 0.81 GSK3B (0.36) GSK3B
SCHEMBL18352531 0.78 METAP2 (0.31)
SCHEMBL19754776 0.78 PRMT5 (0.34)
SCHEMBL19209822 0.77
SCHEMBL18366470 0.76 SMN1; SMN2 (0.36) GSK3B
SCHEMBL18366477 0.76 HCAR2 (0.38) GSK3B

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-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2022-02-08 US disclosed
US-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-07-30 US disclosed
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 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-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K20, MAP3K19, MAP3K1 GSK3A 342/4885GSK3B 358/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 GSK3A 751/4885GSK3B 868/4885
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K20, MAP3K19, MAP3K1 GSK3A 342/4885GSK3B 358/4885

“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.