SCHEMBL1968377

SCHEMBL1968377

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nnc(CC(=O)O)o3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.61
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.33
DPP4 P27487 3/20 0.33
HTR6 P50406 1/20 0.33
NOTUM Q6P988 1/20 0.32
HPGD P15428 1/20 0.32
CYP8B1 Q9UNU6 4/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 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
SCHEMBL1967258 0.92 P2RY12 (0.59) P2RY12MEN1KMT2AHDAC6DPP4
SCHEMBL1973872 0.91 P2RY12 (0.64) P2RY12MEN1KMT2AHDAC6DPP4
SCHEMBL1970782 0.91 P2RY12 (0.65) P2RY12MEN1KMT2AHDAC6DPP4
SCHEMBL1965709 0.89 P2RY12 (0.65) P2RY12MEN1KMT2AHTR6HPGD
SCHEMBL1966750 0.88 P2RY12 (0.62) P2RY12MEN1KMT2ADPP4HTR6
SCHEMBL1967363 0.88 P2RY12 (0.65) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1967644 0.88 P2RY12 (0.65) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1968871 0.87 P2RY12 (0.64) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1967245 0.87 P2RY12 (0.60) P2RY12MEN1KMT2ADPP4HPGD
SCHEMBL1967797 0.86 P2RY12 (0.59) P2RY12MEN1KMT2ADPP4HTR6

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 849/4885KMT2A 4236/4885

“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.