SCHEMBL21882083

SCHEMBL21882083

CCOC(=O)c1cc(C)n(-c2cccc3ncccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.49
MAPT P10636 4/20 0.46
NPY5R Q15761 1/20 0.46
HTT P42858 1/20 0.46
SLC9A1 P19634 1/20 0.44
ELANE P08246 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
PTK2B Q14289 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL15209864 0.90 PDE10A (0.47) PDE10AMAPTNPY5RHTTSLC9A1
SCHEMBL15218575 0.85 NPY5R (0.50) MAPTNPY5RHTTSLC9A1KMT2A
SCHEMBL28216149 0.83 KMT2A (0.52) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL20028705 0.83 ALDH1A1 (0.46) PDE10AMAPTHTTSLC9A1ELANE
SCHEMBL15209818 0.82 PDE10A (0.42) PDE10AMAPTNPY5RHTTSLC9A1
SCHEMBL15230495 0.81 PDE10A (0.41) PDE10AMAPTNPY5RHTTSLC9A1
SCHEMBL20027743 0.79 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6314486 0.78 SLC9A1 (0.65) MAPTSLC9A1ELANEALDH1A1RAB9A
SCHEMBL15218573 0.77 LMNA (0.55) MAPTNPY5RSLC9A1KMT2AMEN1
SCHEMBL20265483 0.76 SLC9A1 (0.54) MAPTSLC9A1ELANEALDH1A1RAB9A

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-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2020-03-24 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-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR9, CCR1, CCR3 PDE10A 1218/4885MAPT 4727/4885NPY5R 1358/4885

“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.