SCHEMBL1971022

SCHEMBL1971022

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OC[C@H]3CCCN3C(=O)OC(C)(C)C)nc2s1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.65
F2RL3 Q96RI0 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP8B1 Q9UNU6 6/20 0.35
GPR119 Q8TDV5 2/20 0.34
TIPARP Q7Z3E1 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
SCHEMBL1967418 1.00 P2RY12 (0.65) P2RY12F2RL3MEN1KMT2AALOX5AP
SCHEMBL1967421 1.00 P2RY12 (0.65) P2RY12F2RL3MEN1KMT2AALOX5AP
SCHEMBL1968208 0.92 P2RY12 (0.69) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1968176 0.92 P2RY12 (0.69) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1968179 0.92 P2RY12 (0.69) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1969551 0.91 P2RY12 (0.70) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1969555 0.91 P2RY12 (0.70) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1972105 0.91 P2RY12 (0.70) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1972659 0.90 P2RY12 (0.66) P2RY12MEN1KMT2ACYP8B1TIPARP
SCHEMBL1973859 0.90 P2RY12 (0.66) P2RY12MEN1KMT2ACYP8B1TIPARP

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 127/4885F2RL3 88/4885MEN1 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.