SCHEMBL31555

SCHEMBL31555

O=C(c1ccc2ncc(-c3ccc(Cl)cc3)n2c1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.62
MKNK2 Q9HBH9 11/20 0.62
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.52
EIF4E P06730 1/20 0.52
GRM5 P41594 4/20 0.50
ADORA2A P29274 2/20 0.50

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
SCHEMBL31554 0.88 MKNK1 (0.63) MKNK1MKNK2CYP3A4EIF4EGRM5
SCHEMBL20146870 0.86 MKNK1 (0.82) MKNK1MKNK2
SCHEMBL15071118 0.83 MKNK1 (0.53) MKNK1MKNK2HPGDCYP3A4EIF4E
SCHEMBL15071119 0.82 MKNK1 (0.52) MKNK1MKNK2HPGDCYP3A4ADORA2A
SCHEMBL15288135 0.80 MKNK1 (0.69) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL15071123 0.80 HPGD (0.56) MKNK1MKNK2HPGDCYP3A4ADORA2A
SCHEMBL15287976 0.79 MKNK1 (0.59) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL15071121 0.78 HPGD (0.54) MKNK1MKNK2HPGDCYP3A4EIF4E
SCHEMBL17389589 0.78 MKNK1 (0.58) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL19243747 0.78 MKNK1 (0.92) MKNK1MKNK2CYP3A4

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 MKNK1 1943/4885MKNK2 1249/4885HPGD 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.