SCHEMBL5982912

SCHEMBL5982912

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
LMNA P02545 4/20 0.37
EGFR P00533 3/20 0.37
MAPK1 P28482 3/20 0.37
APP P05067 2/20 0.37
LDHA P00338 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 3/20 0.34
ALPG P10696 1/20 0.34
S1PR2 O95136 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DYRK1A Q13627 2/20 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
SCHEMBL4333817 0.91 HTT (0.38) HTTLMNAEGFRMAPK1APP
SCHEMBL5983573 0.84 AURKA (0.37) HTTLMNAEGFRMAPK1APP
SCHEMBL4328679 0.76 PDPK1 (0.37) HTTLMNAEGFRMAPK1APP
SCHEMBL13783381 0.76 CLK4 (0.39) HTTLMNAMAPK1SMN1; SMN2GAA
SCHEMBL5992412 0.74 PLD2 (0.34) GAAKMT2AMEN1
SCHEMBL3938541 0.70 LDHA (0.35) HTTLMNAEGFRMAPK1APP
SCHEMBL13783369 0.68 PARP1 (0.35) CLK4DYRK1AAURKAMET
Hydrochloric Acid SCHEMBL4334320 0.67 AURKA (0.34) CLK4DYRK1AAURKAMET
SCHEMBL4331632 0.67 MAP3K7 (0.31)
SCHEMBL13783375 0.66 MAP3K7 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661896-A1 PYRROLOPYRIMIDINETHIONE 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 (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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP HTT 1516/4885LMNA 1696/4885EGFR 688/4885

“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.