SCHEMBL1902308

SCHEMBL1902308

CSc1nc(OCCF)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.37
MERTK Q12866 2/20 0.36
CHEK1 O14757 3/20 0.34
TNK2 Q07912 5/20 0.33
EGFR P00533 2/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
JAK2 O60674 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PDE2A O00408 2/20 0.32
AKT1 P31749 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL1904052 0.88 EGFR (0.37) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1902447 0.88 AURKA (0.37) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1901161 0.87 AURKA (0.36) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1901900 0.85 AURKA (0.41) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1905401 0.85 TACR3 (0.36) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1907935 0.83 PDE2A (0.39) AURKAMERTKCHEK1PDE2A
SCHEMBL14118444 0.82 CHEK1 (0.37) AURKACHEK1TNK2EGFRMAP2K1
SCHEMBL1902380 0.82 EGFR (0.38) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1907343 0.82 AURKA (0.40) AURKACHEK1TNK2EGFRLCK
SCHEMBL1902420 0.80 AKT1 (0.39) AURKAMERTKCHEK1TNK2EGFR

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 527/4885MERTK 1372/4885CHEK1 168/4885

“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.