SCHEMBL2541367

SCHEMBL2541367

CCCn1cc(C(=O)/C=C/N(C)C)c2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.49
CNR2 P34972 15/20 0.49
HTR3A P46098 3/20 0.41
HTR6 P50406 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2541370 1.00 CNR1 (0.49) CNR1CNR2HTR3AHTR6LMNA
SCHEMBL2540580 0.91 DYRK1A (0.46) CNR1CNR2HTR3ALMNAGAA
SCHEMBL2540577 0.91 DYRK1A (0.46) CNR1CNR2HTR3ALMNAGAA
SCHEMBL2546245 0.77 CNR2 (0.47) CNR1CNR2MAPTHTT
SCHEMBL2546255 0.77 CNR2 (0.47) CNR1CNR2MAPTHTT
SCHEMBL9171932 0.73 CNR2 (0.64) CNR1CNR2
SCHEMBL13239579 0.73 L3MBTL1 (0.46) HTR6LMNAGAAMAPTHTT
SCHEMBL28072744 0.72 CNR2 (0.69) CNR1CNR2
SCHEMBL28437013 0.71 CNR2 (0.68) CNR1CNR2
SCHEMBL31516345 0.71 CNR1 (0.44) CNR1CNR2HTR6LMNAMAPT

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 CNR1 2435/4885CNR2 2281/4885HTR3A 3199/4885

“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.