SCHEMBL6413698

SCHEMBL6413698

COc1cccc(C(=NN)c2nc3nonc3nc2NCc2ccccc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
EGFR P00533 4/20 0.41
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLKB1 P03952 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
KDR P35968 1/20 0.36
ALOX15 P16050 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL6417308 0.87 MEN1 (0.36) MEN1KMT2AEGFRPOLBCYP1A2
SCHEMBL6417304 0.87 MEN1 (0.36) MEN1KMT2AEGFRPOLBCYP1A2
SCHEMBL6419567 0.85 KMT2A (0.38) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL6419556 0.85 KMT2A (0.38) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL6414661 0.84 MEN1 (0.37) MEN1KMT2AEGFRCYP1A2CYP3A4
SCHEMBL6414671 0.84 MEN1 (0.37) MEN1KMT2AEGFRCYP1A2CYP3A4
SCHEMBL6416987 0.82 EGFR (0.39) MEN1KMT2AEGFRCYP1A2CYP3A4
SCHEMBL6433414 0.82 EGFR (0.39) MEN1KMT2AEGFRCYP1A2CYP3A4
SCHEMBL6413651 0.81 KDM5B (0.42) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL6413677 0.81 KDM5B (0.42) MEN1KMT2APOLBCYP1A2CYP3A4

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 2 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
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 MEN1 4392/4885KMT2A 3640/4885EGFR 1083/4885

“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.