SCHEMBL1968163

SCHEMBL1968163

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(Oc3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2s1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.60
CYP8B1 Q9UNU6 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
DPP4 P27487 2/20 0.34
GBA1 P04062 1/20 0.34
EGFR P00533 1/20 0.34
SOS1 Q07889 1/20 0.33
PDK2 Q15119 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1966783 0.88 P2RY12 (0.68) P2RY12DPP4TIPARPPARP1PARP2
SCHEMBL1968803 0.87 P2RY12 (0.65) P2RY12TIPARPMEN1KMT2AMAPT
SCHEMBL1970448 0.86 P2RY12 (0.62) P2RY12CYP8B1LIPGGBA1MEN1
SCHEMBL13459967 0.86 P2RY12 (0.69) P2RY12DPP4EGFRMEN1KMT2A
SCHEMBL1969014 0.85 P2RY12 (0.75) P2RY12CYP8B1DPP4PARP1PARP2
SCHEMBL1968114 0.85 P2RY12 (0.65) P2RY12CYP8B1DPP4TIPARPPARP1
SCHEMBL1971369 0.84 P2RY12 (0.65) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1971072 0.83 P2RY12 (0.70) P2RY12CYP8B1DPP4PARP1PARP2
SCHEMBL1967742 0.82 P2RY12 (0.66) P2RY12CYP8B1DPP4TIPARPMEN1
SCHEMBL1970187 0.81 P2RY12 (0.69) P2RY12CYP8B1DPP4MEN1KMT2A

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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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 (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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 P2RY12 127/4885CYP8B1 508/4885LIPG 364/4885

“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.