SCHEMBL2286370

SCHEMBL2286370

NCc1ccc(-c2nc3ccn4c(CNCCO)nnc4c3cc2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.58
AKT2 P31751 10/20 0.58
KCNH2 Q12809 3/20 0.43
AKT3 Q9Y243 2/20 0.39
FECH P22830 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
VSIR Q9H7M9 2/20 0.36
PDCD1 Q15116 4/20 0.36
CD274 Q9NZQ7 4/20 0.36
NAMPT P43490 1/20 0.35
EGFR P00533 2/20 0.35
SRC P12931 2/20 0.35
CSK P41240 2/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 1/20 0.35
CDK1 P06493 1/20 0.35
ABL2 P42684 1/20 0.35

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
SCHEMBL2281090 0.88 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281623 0.88 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283718 0.87 AKT1 (0.47) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283148 0.87 AKT1 (0.48) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283339 0.85 KDM4E (0.49) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281218 0.84 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL14161424 0.84 AKT1 (0.59) AKT1AKT2AKT3FECH
SCHEMBL2287754 0.84 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283359 0.83 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2282251 0.82 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP claimed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US claimed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US claimed
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 WO claimed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D AKT1 8/4885AKT2 4/4885KCNH2 3672/4885

“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.