SCHEMBL4337663

SCHEMBL4337663

NCCn1c(-c2sccc2Cl)c(NC(=O)c2ccccc2)c2nc[nH]c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HPGDS O60760 1/20 0.34
KDR P35968 1/20 0.34
MAP3K7 O43318 2/20 0.34
TP53 P04637 1/20 0.33
SCD O00767 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FLT3 P36888 1/20 0.32
HDAC1 Q13547 2/20 0.32
AURKA O14965 1/20 0.32
BRD4 O60885 1/20 0.31
MAPT P10636 1/20 0.31
MAPK8 P45983 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
SCHEMBL4558520 0.86 PDPK1 (0.39) PDPK1NPC1RAB9ALMNAMEN1
SCHEMBL4339148 0.85 MAP3K7 (0.31) MAP3K7
Hydrochloric Acid SCHEMBL4331991 0.84 MAP3K7 (0.31) MAP3K7
SCHEMBL13783372 0.84 PDPK1 (0.38) PDPK1MEN1KMT2AMAPT
SCHEMBL4328679 0.83 PDPK1 (0.37) PDPK1NPC1RAB9ALMNAKMT2A
SCHEMBL4558139 0.82 PDPK1 (0.36) PDPK1MAP3K7TP53
SCHEMBL6013738 0.80 PARP1 (0.34) PDPK1AURKABRD4MAPK8
Hydrochloric Acid SCHEMBL4335293 0.79 PARP1 (0.33) PDPK1AURKABRD4MAPK8
SCHEMBL6447416 0.78 KMT2A (0.36) PDPK1NPC1RAB9ALMNAMEN1
SCHEMBL6013734 0.78 AURKA (0.33) PDPK1AURKABRD4MAPK8

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 7 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-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
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 (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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP PDPK1 837/4885NPC1 2014/4885RAB9A 4669/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP PDPK1 458/4885NPC1 1923/4885RAB9A 4354/4885

“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.