SCHEMBL3935958

SCHEMBL3935958

CCCC(=O)c1cc(Cl)c(N2CCC(C(=O)N(C)S(=O)(=O)N(C)c3ccc(F)cc3)CC2)nc1CN1CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.35
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GHSR Q92847 1/20 0.31
CCR5 P51681 1/20 0.30

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
SCHEMBL4163795 0.88 P2RY12 (0.42) P2RY12ALDH1A1CYP3A4
SCHEMBL4015932 0.86 P2RY12 (0.41) P2RY12CYP3A4MEN1MAPTKMT2A
SCHEMBL4185716 0.85 P2RY12 (0.38) P2RY12CYP3A4
SCHEMBL4172769 0.83 P2RY12 (0.41) P2RY12ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3941725 0.81 P2RY12 (0.39) P2RY12HSD17B10
SCHEMBL4165233 0.81 P2RY12 (0.35) P2RY12ALDH1A1CYP3A4
SCHEMBL4782938 0.79 P2RY12 (0.40) P2RY12ALDH1A1CYP3A4RECQL
SCHEMBL4183172 0.79 P2RY12 (0.54) P2RY12CYP3A4
SCHEMBL4168802 0.78 P2RY12 (0.60) P2RY12CYP3A4
SCHEMBL4741411 0.78 P2RY12 (0.45) P2RY12CYP3A4MAPTLMNASMN1; SMN2

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-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US claimed
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 P2RY12 1/4885ALDH1A1 1717/4885HSD17B10 3562/4885

“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.