SCHEMBL6447416

SCHEMBL6447416

O=C(NCCn1c(-c2sccc2Cl)c(NC(=O)c2ccccc2)c2nc[nH]c(=S)c21)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
SLC6A9 P48067 1/20 0.36
PLK1 P53350 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDPK1 O15530 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL5991907 0.93 EPHX2 (0.37) KMT2ALMNASLC6A9PLK1MEN1
SCHEMBL4558520 0.92 PDPK1 (0.39) KMT2ALMNASLC6A9PLK1MEN1
SCHEMBL5990532 0.90 NPC1 (0.36) KMT2ALMNASLC6A9PLK1MEN1
SCHEMBL5983301 0.90 SLC6A9 (0.33) KMT2ASLC6A9MEN1RXFP1PLD2
SCHEMBL4330586 0.82 SLC6A9 (0.33) KMT2ASLC6A9MEN1PLD2PLD1
SCHEMBL5983573 0.82 AURKA (0.37) KMT2ALMNAPDPK1KDM4ENPC1
SCHEMBL4558093 0.79 PLD2 (0.35) KMT2AMEN1GAAPLD2PLD1
SCHEMBL4337663 0.78 PDPK1 (0.43) KMT2ALMNAMEN1PDPK1NPC1
SCHEMBL4328679 0.75 PDPK1 (0.37) KMT2ALMNAPDPK1KDM4ENPC1
SCHEMBL3946206 0.72 KDM4E (0.42) KMT2ALMNAMEN1KDM4EALDH1A1

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-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP KMT2A 1753/4885LMNA 1696/4885SLC6A9 3739/4885

“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.