SCHEMBL4558520

SCHEMBL4558520

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
SLC6A9 P48067 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
PLK1 P53350 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 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
SCHEMBL6447416 0.92 KMT2A (0.36) PDPK1KMT2ALMNASLC6A9MEN1
SCHEMBL4330586 0.90 SLC6A9 (0.33) KMT2ASLC6A9MEN1PLD2PLD1
SCHEMBL4558093 0.86 PLD2 (0.35) KMT2AMEN1GAAPLD2PLD1
SCHEMBL4337663 0.86 PDPK1 (0.43) PDPK1KMT2ALMNAMEN1NPC1
SCHEMBL5991907 0.85 EPHX2 (0.37) KMT2ALMNASLC6A9MEN1MAPK10
SCHEMBL5990532 0.83 NPC1 (0.36) KMT2ALMNASLC6A9MEN1NPC1
SCHEMBL5983301 0.82 SLC6A9 (0.33) KMT2ASLC6A9MEN1PLD2PLD1
SCHEMBL4328679 0.82 PDPK1 (0.37) PDPK1KMT2ALMNANPC1RAB9A
SCHEMBL5983573 0.75 AURKA (0.37) PDPK1KMT2ALMNANPC1RAB9A
SCHEMBL4331597 0.74 L3MBTL1 (0.38) KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP 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-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP PDPK1 458/4885KMT2A 1602/4885LMNA 863/4885

“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.