SCHEMBL4172769

SCHEMBL4172769

CCCCC(=O)c1cc(Cl)c(N2CCC(C(=O)N(C)S(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1CN1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
RORC P51449 4/20 0.34
MPL P40238 1/20 0.34
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GPR6 P46095 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 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
SCHEMBL4178552 0.88 P2RY12 (0.55) P2RY12CYP3A4CYP2C9MPLCYP2D6
SCHEMBL4168802 0.84 P2RY12 (0.60) P2RY12CYP3A4CYP2C9CYP2D6PKM
SCHEMBL3935958 0.83 P2RY12 (0.35) P2RY12CYP3A4POLBALDH1A1MEN1
SCHEMBL4185716 0.81 P2RY12 (0.38) P2RY12CYP3A4CYP2C9
SCHEMBL4164145 0.81 MPL (0.37) P2RY12RORCMPLP2RX7
SCHEMBL4171965 0.79 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL4737200 0.77 P2RY12 (0.61) P2RY12CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4163795 0.77 P2RY12 (0.42) P2RY12CYP3A4CYP2C9CYP2D6PKM
SCHEMBL4177858 0.77 P2RY12 (0.55) P2RY12CYP3A4CYP2C9CYP2C19
SCHEMBL4185978 0.77 P2RY12 (0.56) P2RY12CYP3A4CYP2C9CYP2C19

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-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US claimed
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 1/4885CYP3A4 474/4885CYP2C9 680/4885

“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.