SCHEMBL13801460

SCHEMBL13801460

COc1cc(CCOc2nc(Nc3ccc4oc5ccccc5c4c3)nc(N3CCOCC3)n2)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 4/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 6/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
IMPDH2 P12268 2/20 0.40
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
GBA1 P04062 1/20 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
SCHEMBL425744 0.93 MEN1 (0.52) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL3323198 0.89 MEN1 (0.52) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL13801457 0.88 MEN1 (0.46) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL13801454 0.87 MEN1 (0.51) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL10159372 0.86 MEN1 (0.41) MEN1KMT2AALOX15SMN1; SMN2MAPT
SCHEMBL422090 0.81 MEN1 (0.51) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL12772251 0.79 MEN1 (0.55) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL430136 0.79 MEN1 (0.48) MEN1KMT2AALOX15SMN1; SMN2MAPT
SCHEMBL10195931 0.77 KMT2A (0.52) MEN1KMT2AUSP2HSD17B10ALOX15
SCHEMBL425231 0.77 MEN1 (0.51) MEN1KMT2AUSP2HSD17B10ALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MEN1 293/4885KMT2A 1939/4885USP2 1072/4885

“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.