SCHEMBL20464261

SCHEMBL20464261

CC(O)Cn1ccc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CSNK2A1 P68400 3/20 0.33
CCR1 P32246 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CTSK P43235 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
SCHEMBL24884203 1.00 KDM4E (0.36) KDM4ECSNK2A1CCR1SLC6A2SLC6A4
SCHEMBL24884325 1.00 KDM4E (0.36) KDM4ECSNK2A1CCR1SLC6A2SLC6A4
SCHEMBL20462621 0.85 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL24884259 0.84 CSNK2A1 (0.35) KDM4ECSNK2A1SLC6A2SLC6A4SLC6A3
SCHEMBL24884189 0.84 CSNK2A1 (0.35) KDM4ECSNK2A1SLC6A2SLC6A4SLC6A3
SCHEMBL22259384 0.80 SLC6A2 (0.33) CCR1SLC6A2SLC6A4SLC6A3
SCHEMBL2185532 0.77 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL3980290 0.76 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL18214837 0.76 NOS1 (0.41) KDM4ECSNK2A1PTGS1PTGS2
SCHEMBL23052795 0.75 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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-10487068-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2019-11-26 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 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 (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-10487068-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA KDM4E 3081/4885CSNK2A1 445/4885CCR1 119/4885
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA KDM4E 3081/4885CSNK2A1 445/4885CCR1 119/4885

“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.