SCHEMBL1968114

SCHEMBL1968114

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.65
DPP4 P27487 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1968594 0.89 P2RY12 (0.59) P2RY12DPP4MEN1KMT2APARP1
SCHEMBL1967742 0.87 P2RY12 (0.66) P2RY12DPP4MEN1KMT2ATIPARP
SCHEMBL1968360 0.86 P2RY12 (0.65) P2RY12DPP4MEN1KMT2ACYP8B1
SCHEMBL1968163 0.85 P2RY12 (0.60) P2RY12DPP4MEN1KMT2APARP1
SCHEMBL1968149 0.85 P2RY12 (0.67) P2RY12DPP4MEN1KMT2ANR1H2
SCHEMBL1970187 0.85 P2RY12 (0.69) P2RY12DPP4MEN1KMT2ACYP8B1
SCHEMBL1968652 0.85 P2RY12 (0.69) P2RY12MEN1KMT2ACYP8B1
SCHEMBL12409413 0.83 P2RY12 (0.76) P2RY12DPP4MEN1KMT2APARP1
SCHEMBL1970603 0.81 P2RY12 (0.85) P2RY12MEN1KMT2ACYP8B1HDAC6
SCHEMBL12409519 0.80 P2RY12 (0.62) P2RY12DPP4MEN1KMT2APARP1

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 127/4885DPP4 1926/4885MEN1 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.