SCHEMBL6416987

SCHEMBL6416987

COc1ccc(C(=NN)c2nc3nonc3nc2NCc2ccccc2)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
TSHR P16473 3/20 0.39
APP P05067 3/20 0.39
NR1H4 Q96RI1 2/20 0.38
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6433414 0.93 EGFR (0.39) EGFRTSHRAPPNR1H4RAB9A
SCHEMBL6415718 0.89 EGFR (0.39) EGFRSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6415738 0.89 EGFR (0.39) EGFRSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6431548 0.86 AKR1C3 (0.38) EGFRTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL6431540 0.86 AKR1C3 (0.38) EGFRTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL6414661 0.85 MEN1 (0.37) EGFRAPPSMN1; SMN2NPC1MEN1
SCHEMBL6414671 0.85 MEN1 (0.37) EGFRAPPSMN1; SMN2NPC1MEN1
SCHEMBL6413698 0.82 MEN1 (0.45) EGFRTSHRNR1H4TP53SMN1; SMN2
SCHEMBL6417308 0.81 MEN1 (0.36) EGFRTSHRAPPNR1H4SMN1; SMN2
SCHEMBL6417304 0.81 MEN1 (0.36) EGFRTSHRAPPNR1H4SMN1; SMN2

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 1083/4885TSHR 505/4885APP 2245/4885

“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.