SCHEMBL1905448

SCHEMBL1905448

CNc1ncc2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.38
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
AKT1 P31749 4/20 0.36
PDE2A O00408 3/20 0.34
VNN1 O95497 1/20 0.34
TNK2 Q07912 1/20 0.34
EGFR P00533 1/20 0.33
CHEK1 O14757 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKA O14965 1/20 0.33
SCN9A Q15858 1/20 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
SCHEMBL14119196 0.88 AURKA (0.41) TACR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1908151 0.87 TACR3 (0.37) TACR3AKT1PDE2ACHEK1
SCHEMBL1902848 0.86 TACR3 (0.37) TACR3AKT1PDE2ATNK2CHEK1
SCHEMBL1903999 0.83 AURKA (0.36) TACR3AKT1PDE2AVNN1CHEK1
SCHEMBL1905623 0.83 CHEK1 (0.39) TACR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1901762 0.83 AKT1 (0.51) AKT1
SCHEMBL1900974 0.82 ALDH1A1 (0.41) TACR3TNK2EGFRCYP3A4MAPK1
SCHEMBL1905446 0.81 EGFR (0.37) TACR3AKT1PDE2ATNK2EGFR
SCHEMBL1900566 0.81 LCK (0.37) TACR3AKT1TNK2EGFRCYP3A4
SCHEMBL1906672 0.81 TACR3 (0.38) TACR3HDAC3HDAC1HDAC2HDAC6

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 3761/4885HDAC3 764/4885HDAC1 642/4885

“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.