SCHEMBL31452033

SCHEMBL31452033

C=CCCCCN1C(=O)OCc2cnc(SC)nc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.49
FGFR4 P22455 2/20 0.35
IDH1 O75874 13/20 0.34
IDH2 P48735 12/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL31452094 0.81 WEE1 (0.35) WEE1IDH1IDH2
SCHEMBL18459488 0.76 IDH1 (0.41) WEE1FGFR4IDH1IDH2MEN1
SCHEMBL18459331 0.75 FGFR4 (0.35) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL18459263 0.70 IDH1 (0.40) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL31452027 0.65 IDH1 (0.36) IDH1IDH2
SCHEMBL22419389 0.62 MEN1 (0.38) FGFR4KDM4EMAPTNPSR1ALDH1A1
SCHEMBL18459827 0.61 IDH1 (0.31) IDH1IDH2
SCHEMBL19200206 0.61 WEE1 (0.42) WEE1FGFR4MEN1KMT2A
SCHEMBL18425096 0.60 MB (0.36) FGFR4KDM4EMAPTMEN1KMT2A
SCHEMBL31139435 0.60 FGFR4 (0.48) FGFR4KDM4EMAPTALDH1A1MEN1

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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-02-13 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 (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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 IDH1, IDH2, IDH3A WEE1 742/4885FGFR4 1678/4885IDH1 1/4885

“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.