SCHEMBL21769133

SCHEMBL21769133

CCc1cn2c(n1)CN(CC)CC2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
RAD52 P43351 1/20 0.31
RECQL P46063 1/20 0.31
SMO Q99835 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CHRNA7 P36544 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL22502977 0.81 HTR1A (0.33) KDM1AHDAC6SMO
SCHEMBL25807757 0.78 GRM2 (0.33)
SCHEMBL15882258 0.77
SCHEMBL14925522 0.77 KDM4E (0.32)
SCHEMBL20778381 0.76 KDM4E (0.32) HRH4
SCHEMBL6369675 0.76 P2RX7 (0.43)
SCHEMBL13455831 0.73 WDR5 (0.46)
SCHEMBL21126291 0.72 MGLL (0.39)
SCHEMBL8188906 0.71 LMNA (0.47) HRH3
SCHEMBL20778360 0.70 DRD2 (0.32)

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-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 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 (2 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-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 KDM1A 1972/4885HDAC6 2171/4885RAD52 816/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 KDM1A 1972/4885HDAC6 2171/4885RAD52 816/4885

“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.