SCHEMBL4640977

SCHEMBL4640977

COc1cc(Nc2cnc3ccccc3n2)c(C(=O)O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.54
PDGFRA P16234 4/20 0.54
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RCE1 Q9Y256 1/20 0.53
EGFR P00533 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GFER P55789 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47

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
SCHEMBL4641001 0.77 MAPT (0.58) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL7099910 0.77 ALDH1A1 (0.52) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL4345971 0.76 PIK3CA (0.71) KDM4EMEN1KMT2AMAPT
SCHEMBL20745310 0.76 KDM4E (0.71) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL4348304 0.74 PIK3CA (0.58) KDM4EMEN1KMT2AMAPT
SCHEMBL4348336 0.73 PIK3CA (0.50) KDM4EMEN1KMT2AMAPT
SCHEMBL4640142 0.71 BRAF (0.64) PDGFRBPDGFRAEGFRMEN1KMT2A
SCHEMBL14098756 0.71 NPC1 (0.65) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL30081003 0.71 KMT2A (0.70) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL28894335 0.71 KMT2A (0.70) KDM4EALDH1A1HPGDNPSR1HSD17B10

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
EP-1267819-B1 Quinoxaline derivatives, compositions containing them und use as UV-filter MERCK PATENT GMBH (DE) 2008-08-06 EP claimed
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US claimed
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 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-20030207886-A1 Preparation containing quinoxaline derivatives CUTA, XPA, NQO2 PDGFRB 4344/4885PDGFRA 4218/4885KDM4E 467/4885

“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.