SCHEMBL1968236

SCHEMBL1968236

CCCc1cc2c(N3CCc4c(nc(C)nc4C(F)(F)F)C3)nc(Cl)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 3/20 0.41
HTR6 P50406 1/20 0.39
PDE10A Q9Y233 1/20 0.35
TRPC5 Q9UL62 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
P2RX7 Q99572 2/20 0.31
CYP2D6 P10635 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL1969163 0.93 HTR6 (0.47) P2RY12MEN1KMT2AHTR6PDE10A
SCHEMBL1968432 0.91 P2RY12 (0.42) P2RY12MEN1KMT2AHTR6
SCHEMBL1967747 0.87 P2RY12 (0.41) P2RY12MEN1KMT2ACYP2D6CNR1
SCHEMBL1968212 0.84 HTR6 (0.40) P2RY12MEN1KMT2AHTR6
SCHEMBL1966032 0.82 P2RY12 (0.42) P2RY12MEN1KMT2AHTR6PDE10A
SCHEMBL1968213 0.81 P2RY12 (0.59) P2RY12MEN1KMT2AHTR6PDE10A
SCHEMBL1968525 0.80 MEN1 (0.45) P2RY12MEN1KMT2AHTR6
SCHEMBL1966749 0.79 P2RY12 (0.43) P2RY12MEN1KMT2AHTR6
SCHEMBL1966501 0.77 TMIGD3 (0.37) P2RY12MEN1KMT2AHTR6TRPV1
SCHEMBL1966894 0.75 P2RY12 (0.43) P2RY12MEN1KMT2AHTR6PDE10A

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 127/4885MEN1 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.