SCHEMBL2540580

SCHEMBL2540580

CCn1cc(C(=O)C=CN(C)C)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
CNR1 P21554 10/20 0.43
CNR2 P34972 10/20 0.43
ATM Q13315 1/20 0.42
PRKCB P05771 1/20 0.41
GSK3B P49841 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTR3A P46098 4/20 0.40

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
SCHEMBL2540577 1.00 DYRK1A (0.46) DYRK1ACNR1CNR2ATMPRKCB
SCHEMBL2541367 0.91 CNR1 (0.49) CNR1CNR2HTTLMNAGAA
SCHEMBL2541370 0.91 CNR1 (0.49) CNR1CNR2HTTLMNAGAA
SCHEMBL2546290 0.80 CNR1 (0.51) DYRK1ACNR1CNR2ATMPRKCB
SCHEMBL8692020 0.79 CNR1 (0.50) DYRK1ACNR1CNR2ATMPRKCB
SCHEMBL8513279 0.78 CNR1 (0.51) DYRK1ACNR1CNR2ATMPRKCB
SCHEMBL27787562 0.78 CNR1 (0.49) DYRK1ACNR1CNR2ATMPRKCB
SCHEMBL2536038 0.76 MAPT (0.38) HTTLMNAGAAMAPT
SCHEMBL2536042 0.76 MAPT (0.38) HTTLMNAGAAMAPT
SCHEMBL13239579 0.74 L3MBTL1 (0.46) HTTLMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 DYRK1A 542/4885CNR1 2435/4885CNR2 2281/4885

“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.