SCHEMBL1968384

SCHEMBL1968384

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(C(=O)Nc3ccccc3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.61
DPP4 P27487 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 4/20 0.36
AMY1A P0DUB6 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
CYP8B1 Q9UNU6 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
SCHEMBL12409533 0.91 P2RY12 (0.61) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1967296 0.89 P2RY12 (0.59) P2RY12DPP4MEN1KMT2ARIPK1
SCHEMBL1968237 0.88 P2RY12 (0.69) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1970293 0.88 P2RY12 (0.63) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1968487 0.88 P2RY12 (0.63) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1966061 0.88 P2RY12 (0.63) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1967999 0.88 P2RY12 (0.57) P2RY12DPP4MEN1KMT2ARIPK1
SCHEMBL1968627 0.86 P2RY12 (0.67) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1969489 0.86 P2RY12 (0.63) P2RY12DPP4MEN1KMT2AHDAC6
SCHEMBL1970796 0.85 P2RY12 (0.65) P2RY12DPP4MEN1KMT2A

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.