SCHEMBL1968594

SCHEMBL1968594

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(COc3cccc(C(=O)OC)c3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.59
CYP8B1 Q9UNU6 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 3/20 0.35
TIPARP Q7Z3E1 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.34
PRKDC P78527 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
NR4A2 P43354 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1966764 0.94 P2RY12 (0.62) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL1968114 0.89 P2RY12 (0.65) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL1967384 0.88 P2RY12 (0.59) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL12409519 0.86 P2RY12 (0.62) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL1966337 0.84 P2RY12 (0.61) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL1966287 0.83 P2RY12 (0.66) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL1966783 0.83 P2RY12 (0.68) P2RY12MEN1KMT2ADPP4TIPARP
SCHEMBL1968893 0.81 P2RY12 (0.67) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL12409511 0.81 P2RY12 (0.70) P2RY12CYP8B1MEN1KMT2ADPP4
SCHEMBL1965721 0.80 P2RY12 (0.65) P2RY12CYP8B1MEN1KMT2ADPP4

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 6 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
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
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
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 508/4885MEN1 849/4885

“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.