SCHEMBL3929979

SCHEMBL3929979

COC(=O)c1cc(Cl)c(Cl)nc1CN1CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
F10 P00742 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4740341 0.97 RAB9A (0.39) BDKRB1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4740581 0.89 PDE3B (0.41) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL4741483 0.79 OPRK1 (0.38) SMN1; SMN2L3MBTL1KMT2AHPGDKDM4E
SCHEMBL4740254 0.78 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL4165173 0.77 OPRK1 (0.35) BDKRB1SMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL4805982 0.75 OPRK1 (0.35) KMT2A
SCHEMBL3934824 0.74 GAA (0.43) RAB9ASMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL4784194 0.74 BDKRB1 (0.38) BDKRB1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL17185106 0.73 BDKRB1 (0.48) BDKRB1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4742022 0.72 OPRK1 (0.39) ALDH1A1L3MBTL1KMT2AHPGDKDM4E

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
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
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 BDKRB1 150/4885RAB9A 1749/4885SMN1; SMN2 3485/4885

“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.