SCHEMBL3324059

SCHEMBL3324059

CSc1ncc2cc(SC)c(O)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HASPIN Q8TF76 2/20 0.33
MAPK1 P28482 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL1571375 0.81 MEN1 (0.35) MEN1KMT2AHASPINMAPK1NTRK1
SCHEMBL1571542 0.74 ESR2 (0.42) MEN1KMT2AHASPINNTRK1
SCHEMBL3046801 0.74 MAPT (0.40) MEN1KMT2AHASPINNTRK1
SCHEMBL24924883 0.70 DAO (0.31) MEN1KMT2A
SCHEMBL24924722 0.70 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL3170487 0.67 MEN1 (0.43) MEN1KMT2AHASPINMAPK1NTRK1
SCHEMBL14283780 0.67 ALOX15 (0.40) MEN1KMT2AMAPK1
SCHEMBL25405416 0.67 ENPP2 (0.39) MEN1KMT2AHASPINNTRK1
SCHEMBL17652985 0.67 ALDH1A1 (0.44) MEN1KMT2AHASPIN
SCHEMBL24253573 0.66 CGAS (0.30)

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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MEN1 1865/4885KMT2A 998/4885HASPIN 496/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MEN1 1354/4885KMT2A 1065/4885HASPIN 383/4885

“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.