SCHEMBL4328674

SCHEMBL4328674

O=c1[nH]cnc2c(-c3cccnc3)c(Cl)[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.57
BTK Q06187 2/20 0.39
AURKA O14965 2/20 0.39
PIM1 P11309 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PARP1 P09874 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL4331592 0.84 TYMP (0.42) TYMPBTKPIM1CLK4DYRK1A
SCHEMBL4341331 0.81 HPGDS (0.43) TYMPBTKAURKAPIM1ACVR1
SCHEMBL4340378 0.70 ALDH1A1 (0.43) TYMPCYP3A4CYP2C9CYP2C19CYP2A6
SCHEMBL30527139 0.69 KDM4A (0.55) BTKAURKAPIM1CLK4DAPK3
SCHEMBL1848649 0.69 PARP1 (0.53) BTKAURKAPIM1CLK4DAPK3
SCHEMBL4213637 0.68 PDPK1 (0.72) PIM1CLK4GSK3BDYRK1AMAPT
SCHEMBL23950570 0.66 PSD (0.44) BTKAURKAPIM1CLK4DAPK3
SCHEMBL6826793 0.66 PARP1 (0.50) BTKAURKAPIM1CLK4DAPK3
SCHEMBL8693416 0.65 GRIN2D (0.77) TYMPFASN
SCHEMBL13780528 0.65 HTT (0.44) BTKAURKAPIM1CLK4DAPK3

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 4 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-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 TYMP 3645/4885BTK 1956/4885AURKA 62/4885

“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.