SCHEMBL24823005

SCHEMBL24823005

COc1c(C)cc(F)cc1-c1cnn(C2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NLRP3 Q96P20 3/20 0.34
SIK1 P57059 1/20 0.32
SIK3 Q9Y2K2 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL24823464 0.86 NLRP3 (0.33) CYP11B1CYP11B2NLRP3SIK1SIK3
SCHEMBL24824803 0.79 TLR8 (0.38) CYP11B1CYP11B2HCRTR1HCRTR2
SCHEMBL24822783 0.77 PIK3CA (0.31) CYP11B1CYP11B2
SCHEMBL24823461 0.74 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL24823462 0.73 MAOA (0.33) NLRP3HCRTR1
SCHEMBL24497543 0.72 CYP11B1 (0.37) CYP11B1CYP11B2NLRP3SIK1SIK3
SCHEMBL27172210 0.71 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL29992134 0.71 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL24497511 0.71 ALOX5AP (0.38) CYP11B1CYP11B2
SCHEMBL24824796 0.70 PIK3CA (0.33) CYP11B2HCRTR1

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-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2022-12-29 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-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 CYP11B1 573/4885CYP11B2 321/4885NLRP3 521/4885

“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.