SCHEMBL4879573

SCHEMBL4879573

CCc1cnc(-c2cc(C)nc(Cl)c2C#N)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
PPARG P37231 1/20 0.36
STAT3 P40763 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.34
GLA P06280 2/20 0.33
HTT P42858 1/20 0.33
GRM2 Q14416 1/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 3/20 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
SCHEMBL4104724 0.83 P2RY12 (0.34) P2RY12ALDH1A1NPSR1MAPTHSD17B10
SCHEMBL4106512 0.78 NPSR1 (0.49) P2RY12KDM4EALDH1A1NPSR1POLB
SCHEMBL608759 0.76 METAP2 (0.32) P2RY12KDM4EALDH1A1HPGDAPOBEC3G
SCHEMBL4103363 0.72 P2RY12 (0.31) P2RY12
SCHEMBL27219851 0.69 KDM4E (0.41) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL31350444 0.67 ALDH1A1 (0.68) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL4105081 0.67 PDE3A (0.49) P2RY12KDM4EALDH1A1HPGDRXFP1
SCHEMBL9820164 0.66 KDM4E (0.46) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL318407 0.66 KDM4E (0.60) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL29420807 0.66 KDM4E (0.60) KDM4EALDH1A1HPGDPOLBHTT

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-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 1759/4885ALDH1A1 1274/4885

“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.