SCHEMBL6412904

SCHEMBL6412904

NN=C(c1cc(Br)cc(Br)c1O)c1nc2nonc2nc1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.35
EGFR P00533 5/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
TDO2 P48775 1/20 0.35
POLB P06746 1/20 0.35
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35
BRAF P15056 1/20 0.35
GRM4 Q14833 1/20 0.34
SOS1 Q07889 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6414739 0.90 MAPT (0.40) IDO1EGFRMAPTSMN1; SMN2TP53
SCHEMBL6414730 0.90 MAPT (0.40) IDO1EGFRMAPTSMN1; SMN2TP53
SCHEMBL6413509 0.89 EGFR (0.38) EGFRTDO2BRAFKDRERBB2
SCHEMBL6419624 0.88 MAPT (0.41) IDO1EGFRMAPTSMN1; SMN2TP53
SCHEMBL6419630 0.88 MAPT (0.41) IDO1EGFRMAPTSMN1; SMN2TP53
SCHEMBL6415078 0.87 HSPD1 (0.45) EGFRMAPTSMN1; SMN2TP53POLB
SCHEMBL6415087 0.87 HSPD1 (0.45) EGFRMAPTSMN1; SMN2TP53POLB
SCHEMBL6508198 0.86 PSD (0.35) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL6431731 0.86 PSD (0.35) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL6432676 0.84 HSPD1 (0.40) IDO1EGFRMAPTSMN1; SMN2TP53

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 IDO1 3219/4885EGFR 1083/4885MAPT 4420/4885

“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.