SCHEMBL31503

SCHEMBL31503

Cc1ccc(C)c(-c2cnc3ccc(C(=O)N4CCCCC4)cn23)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.53
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
HPGD P15428 3/20 0.47
PLA2G7 Q13093 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GRM5 P41594 1/20 0.44
NPC1 O15118 1/20 0.43
RIPK2 O43353 1/20 0.43

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
SCHEMBL15071125 0.87 PLA2G7 (0.54) ADORA2AMKNK1MKNK2PLA2G7TSHR
SCHEMBL31554 0.84 MKNK1 (0.63) ADORA2AMKNK1MKNK2GRM5
SCHEMBL15071118 0.83 MKNK1 (0.53) ADORA2AMKNK1MKNK2HPGD
SCHEMBL15071119 0.83 MKNK1 (0.52) ADORA2AMKNK1MKNK2HPGDKMT2A
SCHEMBL15071123 0.83 HPGD (0.56) ADORA2AMKNK1MKNK2HPGDNPC1
SCHEMBL15071121 0.81 HPGD (0.54) ADORA2AMKNK1MKNK2HPGDNPC1
SCHEMBL31487 0.80 F2RL1 (0.52) HPGDPLA2G7TSHRKMT2AMEN1
SCHEMBL15049944 0.76 F2RL1 (0.60) ADORA2AMKNK1MKNK2PLA2G7TSHR
SCHEMBL31555 0.75 MKNK1 (0.62) ADORA2AMKNK1MKNK2HPGDGRM5
SCHEMBL15071117 0.74 HPGD (0.50) ADORA2AMKNK1MKNK2HPGDKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 ADORA2A 1056/4885MKNK1 1943/4885MKNK2 1249/4885

“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.