SCHEMBL1901161

SCHEMBL1901161

CS(=O)(=O)c1nc(OCCF)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.36
TNK2 Q07912 7/20 0.36
MERTK Q12866 2/20 0.36
CHEK1 O14757 2/20 0.33
KDR P35968 3/20 0.32
EGFR P00533 2/20 0.32
LCK P06239 2/20 0.32
JAK2 O60674 1/20 0.32
SRC P12931 1/20 0.32
ZAP70 P43403 1/20 0.32
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE2A O00408 1/20 0.32
TEK Q02763 1/20 0.31

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
SCHEMBL14118636 0.92 AKT1 (0.38) AURKATNK2MERTKCHEK1KDR
SCHEMBL1901360 0.89 EGFR (0.36) AURKATNK2MERTKCHEK1KDR
SCHEMBL1902447 0.87 AURKA (0.37) AURKATNK2MERTKCHEK1KDR
SCHEMBL1902308 0.87 AURKA (0.37) AURKATNK2MERTKCHEK1KDR
SCHEMBL1900447 0.86 TNK2 (0.38) AURKATNK2MERTKCHEK1KDR
SCHEMBL1901900 0.84 AURKA (0.41) AURKATNK2MERTKCHEK1KDR
SCHEMBL14118834 0.84 PDE2A (0.39) AURKATNK2MERTKCHEK1HPGD
SCHEMBL14118856 0.82 TNK2 (0.41) AURKATNK2CHEK1EGFRLCK
SCHEMBL1903764 0.82 EGFR (0.37) AURKATNK2CHEK1KDREGFR
SCHEMBL14118818 0.80 AKT1 (0.42) TNK2MERTKKDREGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 AURKA 527/4885TNK2 33/4885MERTK 1372/4885

“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.