SCHEMBL1905401

SCHEMBL1905401

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.36
CHEK1 O14757 1/20 0.35
PDE2A O00408 4/20 0.34
AURKA O14965 2/20 0.34
TNK2 Q07912 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
SCN9A Q15858 2/20 0.33
MERTK Q12866 1/20 0.33
AKT1 P31749 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 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
SCHEMBL14118674 0.90 AKT1 (0.42) TACR3CHEK1PDE2AAURKATNK2
SCHEMBL14118444 0.90 CHEK1 (0.37) TACR3CHEK1PDE2AAURKATNK2
SCHEMBL1902380 0.90 EGFR (0.38) TACR3CHEK1PDE2AAURKATNK2
SCHEMBL1907935 0.89 PDE2A (0.39) TACR3CHEK1PDE2AAURKAMERTK
SCHEMBL1904052 0.89 EGFR (0.37) TACR3CHEK1PDE2AAURKATNK2
SCHEMBL1907343 0.88 AURKA (0.40) CHEK1AURKATNK2EGFR
SCHEMBL1904941 0.85 ALDH1A1 (0.47) AURKATNK2ALDH1A1HPGDHSD17B10
SCHEMBL1900447 0.85 TNK2 (0.38) TACR3CHEK1PDE2AAURKATNK2
SCHEMBL1902308 0.85 AURKA (0.37) CHEK1PDE2AAURKATNK2ALDH1A1
SCHEMBL1908151 0.84 TACR3 (0.37) TACR3CHEK1PDE2AAKT1KDM4E

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 TACR3 3761/4885CHEK1 168/4885PDE2A 2363/4885

“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.