SCHEMBL31530

SCHEMBL31530

O=C(c1ccc2ncc(Cc3ccccc3)n2c1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.49
▸ GRM5 P41594 2/20 0.47
▸ HPGD P15428 8/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ F2RL1 P55085 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42

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
SCHEMBL15071117 0.87 HPGD (0.50) ADORA2AHPGDMKNK1MKNK2ALDH1A1
SCHEMBL15071108 0.77 ADORA2A (0.49) ADORA2AGRM5HPGDMKNK1MKNK2
SCHEMBL24809395 0.75 FYN (0.37) ALDH1A1LMNA
SCHEMBL15071125 0.74 PLA2G7 (0.54) ADORA2AMKNK1MKNK2LMNAF2RL1
SCHEMBL31554 0.71 MKNK1 (0.63) ADORA2AGRM5MKNK1MKNK2
SCHEMBL31555 0.71 MKNK1 (0.62) ADORA2AGRM5HPGDMKNK1MKNK2
SCHEMBL15071120 0.70 ADORA2A (0.45) ADORA2AGRM5HPGDMKNK1MKNK2
SCHEMBL15071119 0.70 MKNK1 (0.52) ADORA2AHPGDMKNK1MKNK2
SCHEMBL15071123 0.70 HPGD (0.56) ADORA2AHPGDMKNK1MKNK2ALDH1A1
SCHEMBL15071122 0.69 F2RL1 (0.67) HPGDMKNK1MKNK2SMN1; SMN2F2RL1

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 1056/4885GRM5 3210/4885HPGD 80/4885

“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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