SCHEMBL1970448

SCHEMBL1970448

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.62
CYP8B1 Q9UNU6 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.35
PIK3CA P42336 1/20 0.35
GBA1 P04062 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NOTUM Q6P988 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
SCHEMBL1966323 0.94 P2RY12 (0.55) P2RY12TLR9TLR7MEN1KMT2A
SCHEMBL1966727 0.94 P2RY12 (0.54) P2RY12CYP8B1TLR9TLR7MEN1
SCHEMBL1968416 0.92 P2RY12 (0.64) P2RY12CYP8B1MEN1KMT2AALDH1A1
SCHEMBL1968547 0.90 P2RY12 (0.64) P2RY12CYP8B1MEN1KMT2ANOTUM
SCHEMBL12490336 0.90 P2RY12 (0.61) P2RY12CYP8B1MEN1KMT2AALDH1A1
SCHEMBL1969407 0.89 P2RY12 (0.66) P2RY12MEN1KMT2AALDH1A1NOTUM
SCHEMBL1971209 0.89 P2RY12 (0.64) P2RY12CYP8B1MEN1KMT2ANOTUM
SCHEMBL1967374 0.88 P2RY12 (0.63) P2RY12MEN1KMT2ANOTUM
SCHEMBL1971155 0.88 P2RY12 (0.62) P2RY12MEN1KMT2A
SCHEMBL1974132 0.87 P2RY12 (0.73) 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 5 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
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 127/4885CYP8B1 508/4885TLR9 4775/4885

“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.