SCHEMBL4112592

SCHEMBL4112592

CC(O)CNC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
P2RY12 Q9H244 18/20 0.45

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
SCHEMBL4110320 0.91 MEN1 (0.49) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL4110505 0.86 P2RY12 (0.49) P2RY12
SCHEMBL2419418 0.85 CXCR3 (0.51) MEN1KMT2ASMN1; SMN2P2RY12
SCHEMBL31142937 0.83 SMN1; SMN2 (0.68) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL2419355 0.81 P2RY12 (0.62) MEN1KMT2AP2RY12
SCHEMBL31050093 0.81 MEN1 (0.52) MEN1KMT2AP2RY12
SCHEMBL2417915 0.81 MEN1 (0.52) MEN1KMT2AHTTSMN1; SMN2P2RY12
SCHEMBL2419414 0.81 MEN1 (0.52) MEN1KMT2ASMN1; SMN2P2RY12
SCHEMBL2418785 0.81 MEN1 (0.52) MEN1KMT2AP2RY12
SCHEMBL4097482 0.81 P2RY12 (0.63) MEN1KMT2AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 MEN1 2888/4885KMT2A 4642/4885HTT 2552/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 MEN1 2007/4885KMT2A 4406/4885HTT 3687/4885

“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.