SCHEMBL4873002

SCHEMBL4873002

CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)Cc4ccccc4)CC3)c(Cl)c2N)o1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
P2RY12 Q9H244 16/20 0.45
CYP2C9 P11712 5/20 0.44
CHRM2 P08172 1/20 0.44
DRD3 P35462 1/20 0.44
STS P08842 1/20 0.43
CYP2C19 P33261 1/20 0.41
CHRM4 P08173 1/20 0.37

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
SCHEMBL4875149 0.87 P2RY12 (0.48) CYP3A4P2RY12CYP2C9CHRM2DRD3
SCHEMBL4880700 0.83 P2RY12 (0.52) CYP3A4P2RY12CYP2C9CHRM2DRD3
SCHEMBL4097532 0.82 P2RY12 (0.60) CYP3A4P2RY12CYP2C9CYP2C19
SCHEMBL4872537 0.82 NEK2 (0.42) P2RY12CYP2C19
SCHEMBL28769429 0.82 P2RY12 (0.45) CYP3A4P2RY12CYP2C9CYP2C19
SCHEMBL4114821 0.80 LMNA (0.41) P2RY12
SCHEMBL4868942 0.79 P2RY12 (0.66) CYP3A4P2RY12CYP2C9CHRM2DRD3
SCHEMBL28769430 0.78 P2RY12 (0.44) CYP3A4P2RY12CYP2C9CYP2C19
SCHEMBL4019158 0.78 CYP3A4 (0.44) CYP3A4P2RY12CYP2C9CHRM2DRD3
SCHEMBL4880691 0.75 P2RY12 (0.59) CYP3A4P2RY12CYP2C9CHRM2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US claimed
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 CYP3A4 140/4885P2RY12 1/4885CYP2C9 96/4885

“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.