SCHEMBL2801395

SCHEMBL2801395

CN(C(=O)OC(C)(C)C)C1CCN(c2cc(Br)nc(Br)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
AAK1 Q2M2I8 1/20 0.44
HSD11B1 P28845 1/20 0.44
KDM4D Q6B0I6 1/20 0.43
SPR P35270 5/20 0.39
PIK3CD O00329 1/20 0.39
USP30 Q70CQ3 3/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
AURKB Q96GD4 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
RET P07949 2/20 0.37
KIF18A Q8NI77 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL2798532 0.87 PDE10A (0.47) PDE10AAAK1HSD11B1KDM4DSPR
SCHEMBL26100075 0.84 PDE10A (0.46) PDE10AAAK1HSD11B1KDM4DUSP30
SCHEMBL803327 0.82 KDM4D (0.53) PDE10AAAK1HSD11B1KDM4DSPR
SCHEMBL30150059 0.82 PDE10A (0.54) PDE10AAAK1HSD11B1KDM4DSPR
SCHEMBL2799289 0.81 MCHR1 (0.40) PDE10AAAK1PIK3CDGPR119
SCHEMBL803761 0.81 F10 (0.46) PDE10AAAK1HSD11B1KDM4DSPR
SCHEMBL22434605 0.81 PDE10A (0.47) PDE10AAAK1HSD11B1KDM4DSPR
SCHEMBL22434716 0.81 PDE10A (0.47) PDE10AAAK1HSD11B1KDM4DSPR
SCHEMBL2171923 0.80 PDE10A (0.46) PDE10AAAK1HSD11B1KDM4DPIK3CD
SCHEMBL16544566 0.80 NOTUM (0.48) PDE10AAAK1HSD11B1KDM4DUSP30

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-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-01 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-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof CYP4B1, CYP3A4, CYP2C19 PDE10A 230/4885AAK1 770/4885HSD11B1 2689/4885

“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.