SCHEMBL234243

SCHEMBL234243

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)N6CCC(CO)CC6)CC5)cc4)nc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.51
AKT2 P31751 8/20 0.51
CHRM4 P08173 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL236581 0.93 AKT1 (0.51) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL238262 0.92 AKT1 (0.52) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL238650 0.92 AKT1 (0.51) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL235465 0.91 AKT1 (0.51) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL238129 0.90 AKT1 (0.50) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL238128 0.90 AKT1 (0.52) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL236743 0.90 AKT1 (0.55) AKT1AKT2CHRM4
SCHEMBL236237 0.89 AKT1 (0.49) AKT1AKT2TSHRALDH1A1MAPT
SCHEMBL234667 0.89 AKT1 (0.50) AKT1AKT2CHRM4TSHRALDH1A1
SCHEMBL237453 0.88 AKT1 (0.64) AKT1AKT2CHRM4JAK2JAK1

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 4 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
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

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 AKT1 13/4885AKT2 4/4885CHRM4 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.