SCHEMBL235189

SCHEMBL235189

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.51
AKT2 P31751 4/20 0.51
CHRM2 P08172 2/20 0.47
ACHE P22303 1/20 0.45
F10 P00742 2/20 0.45
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
CCR3 P51677 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM4 P08173 2/20 0.40
ACKR3 P25106 1/20 0.40
JAK1 P23458 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
SCHEMBL16986892 0.92 CHRM2 (0.47) AKT1AKT2CHRM2CCR3CHRM1
SCHEMBL236182 0.92 AKT1 (0.53) AKT1AKT2ACHEF10GALR3
SCHEMBL237127 0.90 AKT1 (0.61) AKT1AKT2CCR3CHRM4
SCHEMBL235731 0.90 AKT1 (0.54) AKT1AKT2ACHEF10CCR3
SCHEMBL237693 0.89 AKT1 (0.55) AKT1AKT2ACKR3JAK1
SCHEMBL237730 0.89 AKT1 (0.55) AKT1AKT2ACKR3
SCHEMBL234784 0.89 AKT1 (0.55) AKT1AKT2
SCHEMBL235655 0.89 AKT1 (0.55) AKT1AKT2CHRM4ACKR3
SCHEMBL234286 0.87 AKT1 (0.53) AKT1AKT2JAK1
SCHEMBL235907 0.87 AKT1 (0.59) AKT1AKT2CCR3CHRM4

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 9 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
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 AKT1 13/4885AKT2 4/4885CHRM2 4880/4885

“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.