SCHEMBL5458331

SCHEMBL5458331

COc1ccc(O)c(Nc2ncnc3ccsc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 2/20 0.45
FADS1 O60427 1/20 0.45
SRC P12931 2/20 0.45
PIP4K2C Q8TBX8 1/20 0.44
BRAF P15056 2/20 0.44
TNNI3K Q59H18 1/20 0.44
CSNK2A1 P68400 1/20 0.44
RET P07949 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
GRM1 Q13255 1/20 0.42
NPC1 O15118 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL5317160 0.88 MEN1 (0.55) MEN1KMT2AEGFRFADS1SRC
SCHEMBL5333554 0.84 KMT2A (0.67) MEN1KMT2AEGFRFADS1SRC
Hydrochloric Acid SCHEMBL5473031 0.83 MEN1 (0.65) MEN1KMT2AEGFRFADS1SRC
SCHEMBL5474310 0.81 MAPT (0.48) MEN1KMT2AEGFRFADS1SRC
SCHEMBL5468539 0.79 PIP4K2C (0.64) MEN1KMT2AEGFRFADS1PIP4K2C
SCHEMBL7122741 0.78 PIP4K2C (0.62) MEN1KMT2AEGFRFADS1PIP4K2C
Hydrochloric Acid SCHEMBL5467050 0.78 PIP4K2C (0.62) MEN1KMT2AEGFRFADS1PIP4K2C
SCHEMBL5314379 0.78 EGFR (0.56) MEN1KMT2AEGFRFADS1SRC
SCHEMBL5315949 0.78 EGFR (0.51) MEN1KMT2AEGFRFADS1PIP4K2C
SCHEMBL5315196 0.78 EGFR (0.67) EGFRFADS1SRCPIP4K2CRET

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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US claimed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, API5 MEN1 1984/4885KMT2A 3038/4885EGFR 1226/4885

“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.