SCHEMBL4333817

SCHEMBL4333817

O=c1[nH]cnc2c(I)c(-c3sccc3Cl)n(CCNc3ncnc4ccccc34)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.36
EGFR P00533 3/20 0.36
MAPK1 P28482 3/20 0.36
APP P05067 2/20 0.36
LDHA P00338 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
GAA P10253 3/20 0.35
ALPG P10696 1/20 0.35
S1PR2 O95136 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CLK4 Q9HAZ1 3/20 0.34
AURKA O14965 3/20 0.34
PARP1 P09874 2/20 0.34
DYRK1A Q13627 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL5982912 0.91 HTT (0.39) HTTLMNAEGFRMAPK1APP
SCHEMBL4328679 0.84 PDPK1 (0.37) HTTLMNAEGFRMAPK1APP
SCHEMBL13783381 0.84 CLK4 (0.39) HTTLMNAMAPK1SMN1; SMN2GAA
SCHEMBL3938541 0.79 LDHA (0.35) HTTLMNAEGFRMAPK1APP
SCHEMBL13783369 0.78 PARP1 (0.35) CLK4AURKAPARP1DYRK1ADAPK3
Hydrochloric Acid SCHEMBL4334320 0.77 AURKA (0.34) CLK4AURKAPARP1DYRK1ADAPK3
SCHEMBL5983573 0.77 AURKA (0.37) HTTLMNAEGFRMAPK1APP
SCHEMBL4331632 0.76 MAP3K7 (0.31)
SCHEMBL13783375 0.75 MAP3K7 (0.32) TSHR
SCHEMBL13783364 0.74 L3MBTL1 (0.37) LMNAGAANPSR1MAPTKMT2A

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 HTT 2491/4885LMNA 863/4885EGFR 804/4885

“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.