SCHEMBL1356777

SCHEMBL1356777

Cn1cc(-c2cc3c(Cl)c(Cl)cnc3n2COCC[Si](C)(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
MAPT P10636 1/20 0.32
DGAT1 O75907 2/20 0.31
LRRK2 Q5S007 1/20 0.31
AXL P30530 1/20 0.31
MET P08581 1/20 0.31
ACVR1 Q04771 1/20 0.31
NPC1 O15118 1/20 0.31
INPPL1 O15357 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
BRD4 O60885 2/20 0.30

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
SCHEMBL1354772 0.85 DGAT1 (0.33) DGAT1AXL
SCHEMBL1356795 0.80 PDE1B (0.36)
SCHEMBL1357173 0.80 CDK8 (0.31)
SCHEMBL2320459 0.77 DGAT1 (0.39) MAPTDGAT1MET
SCHEMBL30690645 0.76 IRAK4 (0.35) DGAT1
SCHEMBL2319413 0.76 DGAT1 (0.32) DGAT1MET
SCHEMBL25786354 0.75 CYP1A2 (0.34) MAPTDGAT1NPC1
SCHEMBL1932350 0.75 NTRK1 (0.34) AURKBMAPTDGAT1MET
SCHEMBL30690764 0.75 CHEK1 (0.39) MAPTDGAT1METNPC1GSK3B
SCHEMBL1933025 0.74 DGAT1 (0.33) MAPTDGAT1

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-2569316-B1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-04-23 EP disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 415/4885

“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.