SCHEMBL1966556

SCHEMBL1966556

CC(C)c1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.45
MEN1 O00255 3/20 0.38
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
SOS1 Q07889 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DPP4 P27487 2/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP8B1 Q9UNU6 2/20 0.31
MGAT2 Q10469 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL1966309 0.90 P2RY12 (0.46) P2RY12PRKCHPRKCESOS1HDAC6
SCHEMBL1967160 0.89 P2RY12 (0.50) P2RY12MEN1PRKCHPRKCESOS1
SCHEMBL1967244 0.88 P2RY12 (0.54) P2RY12MEN1KMT2A
SCHEMBL1970332 0.86 P2RY12 (0.63) P2RY12MEN1PRKCHPRKCEHDAC6
SCHEMBL1972107 0.86 P2RY12 (0.49) P2RY12MEN1DPP4KMT2ACYP8B1
SCHEMBL1968611 0.85 P2RY12 (0.57) P2RY12MEN1PRKCHPRKCEHDAC6
SCHEMBL1968268 0.85 P2RY12 (0.54) P2RY12MEN1PRKCHPRKCEHDAC6
SCHEMBL1968886 0.81 P2RY12 (0.51) P2RY12MEN1DPP4KMT2ACYP8B1
SCHEMBL1969136 0.81 P2RY12 (0.47) P2RY12MEN1KMT2A
SCHEMBL1970110 0.80 P2RY12 (0.55) P2RY12MEN1PRKCHPRKCEDPP4

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 849/4885PRKCH 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.