SCHEMBL1907935

SCHEMBL1907935

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 14/20 0.39
TACR3 P29371 2/20 0.34
CHEK1 O14757 1/20 0.33
MERTK Q12866 1/20 0.33
SLC6A9 P48067 1/20 0.33
AURKA O14965 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
SCHEMBL1902574 0.91 AKT1 (0.41) PDE2ATACR3MERTKSLC6A9
SCHEMBL12677030 0.89 OPRM1 (0.35) PDE2AAURKA
SCHEMBL1905401 0.89 TACR3 (0.36) PDE2ATACR3CHEK1MERTKAURKA
SCHEMBL14235286 0.88 PDE2A (0.32) PDE2AAURKA
SCHEMBL14118444 0.87 CHEK1 (0.37) PDE2ATACR3CHEK1AURKA
SCHEMBL1902380 0.87 EGFR (0.38) PDE2ATACR3CHEK1MERTKAURKA
SCHEMBL1904052 0.86 EGFR (0.37) PDE2ATACR3CHEK1MERTKAURKA
SCHEMBL14118834 0.85 PDE2A (0.39) PDE2ATACR3CHEK1MERTKAURKA
SCHEMBL1907343 0.84 AURKA (0.40) CHEK1AURKA
SCHEMBL12095387 0.83 AKT1 (0.41)

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 PDE2A 2363/4885TACR3 3761/4885CHEK1 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.