SCHEMBL21077287

SCHEMBL21077287

CC1C=Cc2c(n(C(C)C)c3cnccc23)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
CDK4 P11802 2/20 0.31
CDK6 Q00534 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL19268883 0.81 MAPT (0.37) HTT
SCHEMBL24237285 0.75 KDM4E (0.32)
SCHEMBL21085326 0.74 CCNA2 (0.34) DYRK1A
SCHEMBL21215259 0.74 CSNK2A2 (0.34)
SCHEMBL21562876 0.71
SCHEMBL16640338 0.71 DYRK1A (0.50) DYRK1ANFATC1GSK3BCDK4CDK6
SCHEMBL21231321 0.71 KCNH2 (0.33) CDK4CDK6KCNH2
SCHEMBL24667866 0.71 CASR (0.36)
SCHEMBL24667548 0.70 SIGMAR1 (0.30)
SCHEMBL23196755 0.68 KDM4E (0.32) USP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA DYRK1A 4829/4885NFATC1 4711/4885GSK3B 2705/4885

“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.