SCHEMBL1966501

SCHEMBL1966501

CCc1cc2c(N3CCc4c(nc(-c5ccoc5)nc4C(F)(F)F)C3)nc(Cl)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.37
ADORA1 P30542 1/20 0.37
TRPV1 Q8NER1 2/20 0.35
P2RY12 Q9H244 7/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL1966749 0.90 P2RY12 (0.43) P2RY12HTR6MEN1KMT2ATSHR
SCHEMBL13460011 0.84 P2RY12 (0.43) TMIGD3ADORA1TRPV1P2RY12HTR6
SCHEMBL1967591 0.84 P2RY12 (0.43) TMIGD3ADORA1TRPV1P2RY12HTR6
SCHEMBL1969163 0.84 HTR6 (0.47) TMIGD3TRPV1P2RY12HTR6MEN1
SCHEMBL1968212 0.84 HTR6 (0.40) TMIGD3P2RY12HTR6MEN1KMT2A
SCHEMBL1969028 0.83 P2RY12 (0.51) TMIGD3ADORA1TRPV1P2RY12
SCHEMBL12409699 0.83 P2RY12 (0.51) TMIGD3ADORA1TRPV1P2RY12
SCHEMBL1967747 0.83 P2RY12 (0.41) P2RY12MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1968525 0.81 MEN1 (0.45) P2RY12HTR6MEN1KMT2ATSHR
SCHEMBL1968236 0.77 P2RY12 (0.42) TRPV1P2RY12HTR6MEN1KMT2A

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 TMIGD3 2869/4885ADORA1 715/4885TRPV1 2200/4885

“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.