SCHEMBL2405487

SCHEMBL2405487

COc1ccc(-c2cccnc2C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
CYP2A6 P11509 1/20 0.46
BRS3 P32247 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
OXTR P30559 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 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
SCHEMBL2405276 0.87 L3MBTL1 (0.49) MKNK1MKNK2SLC22A12CYP2A6HSD17B1
SCHEMBL2406304 0.81 KDM4E (0.49) MKNK1MKNK2SLC22A12BRS3KDM4E
SCHEMBL1874313 0.79 PRKAG1 (0.53) MKNK1MKNK2PRKAG1PRKAA1PRKAB1
SCHEMBL15730261 0.78 CYP2A6 (0.54) MKNK1MKNK2SLC22A12CYP2A6HSD17B1
SCHEMBL27627170 0.78 ALDH1A1 (0.46) PRKAG1PRKAA1PRKAB1KDM4EALDH1A1
SCHEMBL12070373 0.78 SLC22A12 (0.64) MKNK1MKNK2SLC22A12OXTR
SCHEMBL2406990 0.77 MAPT (0.47) MKNK1MKNK2CYP2A6BRS3KDM4E
SCHEMBL6676333 0.77 CYP2A6 (0.49) MKNK1MKNK2SLC22A12CYP2A6HSD17B1
SCHEMBL9870376 0.77 HCRTR1 (0.47) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2323790 0.76 KDM4E (0.50) MKNK1MKNK2BRS3KDM4EALDH1A1

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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MKNK1 4206/4885MKNK2 4155/4885PRKAG1 3397/4885

“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.