SCHEMBL4331592

SCHEMBL4331592

O=c1[nH]cnc2c(-c3cccnc3)c(-c3ccccc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.42
HPGD P15428 2/20 0.41
DYRK1A Q13627 1/20 0.40
NPY5R Q15761 1/20 0.40
PDPK1 O15530 1/20 0.39
CYP19A1 P11511 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
F2 P00734 1/20 0.39
MAPK1 P28482 1/20 0.39
PNP P00491 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2A6 P11509 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL4328674 0.84 TYMP (0.57) TYMPHPGDDYRK1ANPY5RPIM1
SCHEMBL4341331 0.79 HPGDS (0.43) TYMPNPY5RPIM1MAPK1PNP
SCHEMBL3935637 0.72 DYRK1A (0.49) HPGDDYRK1APDPK1PIM1PIM3
SCHEMBL4340378 0.69 ALDH1A1 (0.43) TYMPHPGDMAPK1PNPKDM4E
SCHEMBL30527139 0.68 KDM4A (0.55) DYRK1APIM1CLK4CYP2A6TDO2
SCHEMBL1848649 0.67 PARP1 (0.53) DYRK1APDPK1PIM1CLK4KDM4E
SCHEMBL22086127 0.67 SRC (0.52) HPGDDYRK1APDPK1MAPK1KDM4E
SCHEMBL4213637 0.66 PDPK1 (0.72) DYRK1APDPK1PIM1PIM3CLK4
SCHEMBL27948875 0.65 CYP2A6 (0.67) HPGDNPY5RCYP19A1KDM4EALDH1A1
SCHEMBL8820781 0.64 PNP (0.57) HPGDPDPK1PNPKDM4EALDH1A1

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 TYMP 3645/4885HPGD 2398/4885DYRK1A 817/4885

“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.