SCHEMBL2301088

SCHEMBL2301088

O=c1cc(O)n2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
GLA P06280 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 4/20 0.43
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
USP7 Q93009 1/20 0.41

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
SCHEMBL22144486 0.78 KDM4E (0.49) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL22144516 0.78 KDM4E (0.48) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL22144688 0.78 KDM4E (0.48) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL3958034 0.76 KDM4E (0.55) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL9616068 0.75 TSHR (0.47) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL24697550 0.68 KDM4E (0.56) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL3313454 0.68 MIF (0.53) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL21287698 0.68 MAPT (0.55) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL645169 0.68 MAPT (0.55) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL14039272 0.68 KMT2A (0.57) KDM4EGLAALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D KDM4E 3526/4885GLA 4487/4885ALDH1A1 2804/4885

“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.