SCHEMBL4183151

SCHEMBL4183151

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR4 P22455 2/20 0.33
RET P07949 7/20 0.32
CYP3A4 P08684 2/20 0.32
ELANE P08246 2/20 0.32
CYP2C9 P11712 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
SCHEMBL3932899 0.91 P2RY12 (0.43) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4176037 0.89 MAPK1 (0.33) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4179538 0.83 ALDH1A1 (0.40) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4180538 0.81 ALDH1A1 (0.41) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4183233 0.81 ALDH1A1 (0.43) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4164295 0.81 ALDH1A1 (0.40) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4178445 0.81 CYP3A4 (0.57) P2RY12CYP3A4CYP2C9
SCHEMBL4170318 0.81 ALDH1A1 (0.40) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4168148 0.81 ALDH1A1 (0.40) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4172577 0.81 ALDH1A1 (0.40) P2RY12KDM4EALDH1A1GAAMAPT

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 P2RY12 1/4885KDM4E 3427/4885ALDH1A1 1717/4885

“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.