SCHEMBL2872169

SCHEMBL2872169

COC(=N)C(Nc1ccc(C#N)cc1)Sc1cc(OC)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL1619763 0.89 MEN1 (0.36) MEN1KMT2AMCL1RXFP1FPR1
SCHEMBL2872170 0.80 MEN1 (0.35) MEN1KMT2AMCL1RXFP1FPR1
SCHEMBL2701254 0.77 ALDH1A1 (0.41) MEN1KMT2AMCL1RXFP1FPR1
SCHEMBL2701454 0.75 MEN1 (0.33) MEN1KMT2AMCL1RXFP1FPR1
SCHEMBL1619764 0.68 MEN1 (0.39) MEN1KMT2AMCL1RXFP1FPR1
SCHEMBL2873245 0.65 MEN1 (0.30) MEN1KMT2AMCL1
SCHEMBL1621026 0.64 ALDH1A1 (0.47) MEN1KMT2AMCL1FPR1FPR2
SCHEMBL5883488 0.63 MEN1 (0.42) MEN1KMT2AMCL1RXFP1FPR1
SCHEMBL1620420 0.63 NOS3 (0.34) MEN1KMT2AMCL1ALDH1A1
SCHEMBL1618513 0.62 MEN1 (0.37) MEN1KMT2AMCL1RXFP1FPR1

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-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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-20080015199-A1 Triazolone derivatives F3, F12, F2 MEN1 335/4885KMT2A 1639/4885MCL1 538/4885

“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.