SCHEMBL15071125

SCHEMBL15071125

Cc1ccccc1-c1cnc2ccc(C(=O)N3CCCCC3)cn12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.54
▸ ADORA2A P29274 8/20 0.52
▸ MKNK1 Q9BUB5 8/20 0.52
▸ MKNK2 Q9HBH9 8/20 0.52
▸ SLC6A7 Q99884 1/20 0.45
▸ F2RL1 P55085 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL15049944 0.89 F2RL1 (0.60) PLA2G7ADORA2AMKNK1MKNK2SLC6A7
SCHEMBL31503 0.87 ADORA2A (0.53) PLA2G7ADORA2AMKNK1MKNK2TSHR
SCHEMBL31554 0.81 MKNK1 (0.63) ADORA2AMKNK1MKNK2
SCHEMBL15071118 0.81 MKNK1 (0.53) ADORA2AMKNK1MKNK2
SCHEMBL15071119 0.81 MKNK1 (0.52) ADORA2AMKNK1MKNK2
SCHEMBL15071123 0.80 HPGD (0.56) ADORA2AMKNK1MKNK2
SCHEMBL15071121 0.79 HPGD (0.54) ADORA2AMKNK1MKNK2
SCHEMBL31555 0.77 MKNK1 (0.62) ADORA2AMKNK1MKNK2
SCHEMBL15071108 0.74 ADORA2A (0.49) ADORA2AMKNK1MKNK2F2RL1LMNA
SCHEMBL31530 0.74 ADORA2A (0.49) ADORA2AMKNK1MKNK2F2RL1LMNA

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 2 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

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 PLA2G7 152/4885ADORA2A 1056/4885MKNK1 1943/4885

“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.

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