SCHEMBL4176037

SCHEMBL4176037

CCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)OC(C)(C)C)CC3)nc2CN2CCCC2=O)o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
RORC P51449 2/20 0.32
ELANE P08246 2/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RY12 Q9H244 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
HPGDS O60760 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL4169278 0.90 ELANE (0.38) MAPK1ELANEP2RY12ALDH1A1GAA
SCHEMBL4183151 0.89 P2RY12 (0.40) MAPK1ELANEMAPTKDM4ETSHR
SCHEMBL4171958 0.82 MAPK1 (0.35) MAPK1RORCMAPTKDM4EHSD17B10
SCHEMBL4019158 0.80 CYP3A4 (0.44) P2RY12
SCHEMBL4169013 0.80 RORC (0.34) MAPK1RORCMAPTKDM4ETSHR
SCHEMBL4179105 0.79 P2RY12 (0.34) MAPK1RORCMAPTKDM4ETSHR
SCHEMBL4892954 0.79 MAPT (0.39) MAPTKDM4ETSHRALOX12HSD17B10
SCHEMBL4165173 0.79 OPRK1 (0.35) MAPK1RORCMAPTKDM4EHSD17B10
SCHEMBL3932899 0.79 P2RY12 (0.43) MAPK1ELANEMAPTKDM4ETSHR
SCHEMBL4177508 0.78 P2RY12 (0.36) MAPK1MAPTP2RY12ALDH1A1GAA

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-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 MAPK1 606/4885RORC 460/4885ELANE 3363/4885

“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.