SCHEMBL236773

SCHEMBL236773

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)N6CCN(c7ccc(C(F)(F)F)cn7)CC6)CC5)cc4)nc3n2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.47
CHRM1 P11229 3/20 0.47
CHRM4 P08173 4/20 0.46
AKT1 P31749 8/20 0.45
AKT2 P31751 8/20 0.45
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL236744 0.89 MEN1 (0.51) AKT1AKT2ALDH1A1MEN1KMT2A
SCHEMBL236237 0.87 AKT1 (0.49) AKT1AKT2ALDH1A1MEN1KMT2A
SCHEMBL238650 0.86 AKT1 (0.51) CHRM4AKT1AKT2ALDH1A1MEN1
SCHEMBL238262 0.86 AKT1 (0.52) CHRM4AKT1AKT2ALDH1A1MEN1
SCHEMBL236581 0.85 AKT1 (0.51) CHRM4AKT1AKT2ALDH1A1MEN1
SCHEMBL235465 0.84 AKT1 (0.51) CHRM4AKT1AKT2ALDH1A1MEN1
SCHEMBL234243 0.84 AKT1 (0.51) CHRM2CHRM1CHRM4AKT1AKT2
SCHEMBL235725 0.84 AKT1 (0.47) CHRM4AKT1AKT2ALDH1A1MEN1
SCHEMBL238129 0.84 AKT1 (0.50) CHRM4AKT1AKT2ALDH1A1MEN1
SCHEMBL238128 0.84 AKT1 (0.52) CHRM4AKT1AKT2ALDH1A1MEN1

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 CHRM2 4880/4885CHRM1 4877/4885CHRM4 4871/4885

“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.