SCHEMBL21745501

SCHEMBL21745501

c1cnc2c(c1)SNC[C@H]1COCCN21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
PDE4A P27815 1/20 0.34
MTOR P42345 13/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PIK3CA P42336 9/20 0.32
PIK3R1 P27986 7/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
PRKDC P78527 1/20 0.32
RPTOR Q8N122 8/20 0.32
MLST8 Q9BVC4 8/20 0.32
RICTOR Q6R327 7/20 0.32
MAPKAP1 Q9BPZ7 7/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL21745502 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BPDE4AMTOR
SCHEMBL21745108 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BPDE4AMTOR
SCHEMBL21762803 0.82 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL21762403 0.82 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL21762783 0.80 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL21745068 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL21745496 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL21745067 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL21745081 0.78 MTOR (0.33) PDE4AMTORPIK3CAPIK3R1PIK3C3
SCHEMBL21745500 0.72 HTR2A (0.36) HTR2AHTR2CHTR2BPDE4AMTOR

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-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 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-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 HTR2A 3969/4885HTR2C 4273/4885HTR2B 4303/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HTR2A 3969/4885HTR2C 4273/4885HTR2B 4303/4885

“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.