SCHEMBL237411

SCHEMBL237411

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)Nc6cccc(C#N)c6)CC5)cc4)nc3n2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.53
AKT2 P31751 5/20 0.53
ACHE P22303 1/20 0.45
CHRM4 P08173 2/20 0.45
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.43
CCR3 P51677 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL237127 0.92 AKT1 (0.61) AKT1AKT2CHRM4CCR3KMT2A
SCHEMBL16986826 0.91 CHRM4 (0.44) AKT1AKT2CHRM4CCR3DRD4
SCHEMBL235655 0.91 AKT1 (0.55) AKT1AKT2CHRM4KMT2A
SCHEMBL237693 0.91 AKT1 (0.55) AKT1AKT2JAK2KMT2A
SCHEMBL234784 0.91 AKT1 (0.55) AKT1AKT2KMT2A
SCHEMBL237730 0.91 AKT1 (0.55) AKT1AKT2KMT2A
SCHEMBL235731 0.90 AKT1 (0.54) AKT1AKT2ACHECCR3KMT2A
SCHEMBL236182 0.89 AKT1 (0.53) AKT1AKT2ACHECHRM4TP53
SCHEMBL234286 0.89 AKT1 (0.53) AKT1AKT2JAK2KMT2A
SCHEMBL235907 0.88 AKT1 (0.59) AKT1AKT2CHRM4CCR3KMT2A

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 7 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

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 4/4885ACHE 3928/4885

“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.