SCHEMBL1968886

SCHEMBL1968886

CC(C)c1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(Cl)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.51
MEN1 O00255 4/20 0.43
DPP4 P27487 10/20 0.37
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.34
CYP8B1 Q9UNU6 4/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP8 Q6V1X1 3/20 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
SCHEMBL1972124 0.87 P2RY12 (0.53) P2RY12DPP4NOTUMCYP8B1
SCHEMBL1972107 0.86 P2RY12 (0.49) P2RY12MEN1DPP4KMT2ACYP8B1
SCHEMBL1973330 0.86 P2RY12 (0.57) P2RY12MEN1DPP4KMT2ANOTUM
SCHEMBL1970024 0.84 P2RY12 (0.62) P2RY12MEN1KMT2ANOTUM
SCHEMBL1967936 0.83 P2RY12 (0.72) P2RY12MEN1DPP4KMT2ANOTUM
SCHEMBL1969134 0.82 P2RY12 (0.49) P2RY12MEN1DPP4
SCHEMBL1966556 0.81 P2RY12 (0.45) P2RY12MEN1DPP4KMT2ACYP8B1
SCHEMBL12409406 0.81 P2RY12 (0.65) P2RY12MEN1DPP4KMT2ANOTUM
SCHEMBL1970100 0.81 P2RY12 (0.62) P2RY12MEN1DPP4KMT2ANOTUM
SCHEMBL1969602 0.77 P2RY12 (0.53) P2RY12MEN1KMT2A

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 127/4885MEN1 849/4885DPP4 1926/4885

“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.