SCHEMBL1969134

SCHEMBL1969134

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.49
MEN1 O00255 1/20 0.38
HDAC6 Q9UBN7 1/20 0.34
DPP4 P27487 6/20 0.33
SLC29A1 Q99808 3/20 0.33
GBA1 P04062 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
SCHEMBL1968928 0.87 P2RY12 (0.58) P2RY12MEN1
SCHEMBL1970983 0.86 P2RY12 (0.68) P2RY12MEN1HDAC6SLC29A1
SCHEMBL1968003 0.84 P2RY12 (0.61) P2RY12MEN1HDAC6
SCHEMBL1968886 0.82 P2RY12 (0.51) P2RY12MEN1DPP4
SCHEMBL1972107 0.80 P2RY12 (0.49) P2RY12MEN1DPP4
SCHEMBL1972666 0.79 P2RY12 (0.59) P2RY12MEN1
SCHEMBL12409403 0.79 P2RY12 (0.58) P2RY12MEN1
SCHEMBL1973441 0.79 P2RY12 (0.67) P2RY12MEN1HDAC6
SCHEMBL13459928 0.78 P2RY12 (0.54) P2RY12MEN1
SCHEMBL1968039 0.78 P2RY12 (0.42) P2RY12MEN1HDAC6DPP4SLC29A1

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 849/4885HDAC6 774/4885

“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.