SCHEMBL1966309

SCHEMBL1966309

Cc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.46
MGAT2 Q10469 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
CYP8B1 Q9UNU6 5/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SCN9A Q15858 1/20 0.32
SOS1 Q07889 1/20 0.32
NOTUM Q6P988 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1966556 0.90 P2RY12 (0.45) P2RY12MGAT2PRKCHPRKCECYP8B1
SCHEMBL1967244 0.89 P2RY12 (0.54) P2RY12PARP1PARP2PARP3KDM4E
SCHEMBL1970332 0.88 P2RY12 (0.63) P2RY12PRKCHPRKCEHDAC6PARP1
SCHEMBL1967160 0.87 P2RY12 (0.50) P2RY12PRKCHPRKCEHDAC6SOS1
SCHEMBL1968611 0.86 P2RY12 (0.57) P2RY12PRKCHPRKCEHDAC6SCN9A
SCHEMBL1968268 0.86 P2RY12 (0.54) P2RY12PRKCHPRKCEHDAC6PARP1
SCHEMBL1969136 0.83 P2RY12 (0.47) P2RY12KDM4E
SCHEMBL1970110 0.81 P2RY12 (0.55) P2RY12PRKCHPRKCEKDM4E
SCHEMBL1967658 0.80 P2RY12 (0.39) P2RY12HDAC6PDE4APDE4BPDE4C
SCHEMBL1972124 0.80 P2RY12 (0.53) P2RY12CYP8B1NOTUM

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 127/4885MGAT2 1345/4885PRKCH 1945/4885

“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.