SCHEMBL538030

SCHEMBL538030

NC1(c2ccc(-c3nc4nc(C(=O)O)cn4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.54
AKT2 P31751 9/20 0.54
CHRM1 P11229 1/20 0.48
FLT1 P17948 1/20 0.48
CLK1 P49759 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
AKT3 Q9Y243 1/20 0.48

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
SCHEMBL868156 0.89 AKT1 (0.60) AKT1AKT2
SCHEMBL538965 0.86 AKT1 (0.60) AKT1AKT2
SCHEMBL867218 0.84 AKT1 (0.59) AKT1AKT2
SCHEMBL362645 0.84 AKT1 (0.61) AKT1AKT2
SCHEMBL867935 0.81 AKT1 (0.55) AKT1AKT2
SCHEMBL539102 0.81 AKT1 (0.54) AKT1AKT2
SCHEMBL868035 0.80 AKT1 (0.61) AKT1AKT2
SCHEMBL867146 0.80 AKT1 (0.57) AKT1AKT2
SCHEMBL866809 0.80 AKT1 (0.57) AKT1
SCHEMBL4068385 0.80 PTGS1 (0.39) AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US claimed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885CHRM1 4884/4885

“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.