SCHEMBL4641001

SCHEMBL4641001

COc1ccccc1Nc1cnc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
GAA P10253 2/20 0.58
MAPK10 P53779 1/20 0.57
EGFR P00533 2/20 0.56
POLB P06746 1/20 0.55
PDGFRB P09619 4/20 0.55
PDGFRA P16234 4/20 0.55
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
AURKA O14965 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL1702666 0.81 PDGFRB (0.50) ALDH1A1NPC1RAB9AGAAEGFR
SCHEMBL31620747 0.79 NPC1 (0.65) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL4640142 0.78 BRAF (0.64) EGFRPOLBPDGFRBPDGFRAKMT2A
SCHEMBL4640977 0.77 PDGFRB (0.54) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL11090022 0.77 MAPT (0.47) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL15256286 0.77 PDGFRB (0.66) MAPTALDH1A1NPC1RAB9AMAPK10
SCHEMBL11343230 0.77 PDGFRB (0.61) ALDH1A1NPC1RAB9AGAAEGFR
SCHEMBL11088998 0.77 MAPT (0.53) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL13562420 0.76 MAPT (0.60) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL1857786 0.76 PDGFRB (0.59) ALDH1A1NPC1RAB9AGAAEGFR

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 4 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 disclosed
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US disclosed
EP-1267819-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001068047-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-20 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-20030207886-A1 Preparation containing quinoxaline derivatives CUTA, XPA, NQO2 MAPT 2455/4885ALDH1A1 1898/4885NPC1 4650/4885

“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.