SCHEMBL6413504

SCHEMBL6413504

COc1cc(Br)cc(/C=N/Nc2nc3nonc3nc2Nc2ccc(F)c(Cl)c2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ERBB2 P04626 3/20 0.38
AURKA O14965 1/20 0.38
INSR P06213 1/20 0.38
FBP1 P09467 1/20 0.38
PDGFRB P09619 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CLK1 P49759 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KLF5 Q13887 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL6413506 1.00 EGFR (0.40) EGFRRAF1BRAFERBB2AURKA
SCHEMBL6417091 0.89 ERN1 (0.40) MAPTKDM4ESMN1; SMN2HTTKLF5
SCHEMBL6417086 0.89 ERN1 (0.40) MAPTKDM4ESMN1; SMN2HTTKLF5
SCHEMBL6412900 0.89 MEN1 (0.45) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL6416048 0.88 MAPT (0.41) EGFRRAF1FBP1MAPTKDM4E
SCHEMBL6431936 0.88 MAPT (0.51) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL6431942 0.88 MAPT (0.51) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL6416047 0.88 MAPT (0.41) EGFRRAF1FBP1MAPTKDM4E
SCHEMBL6420758 0.85 MAPT (0.42) MAPTKDM4ESMN1; SMN2HTTKLF5
SCHEMBL6432545 0.82 APP (0.42) EGFRRAF1BRAFERBB2AURKA

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 EGFR 1083/4885RAF1 2831/4885BRAF 3814/4885

“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.