SCHEMBL2275178

SCHEMBL2275178

[CH2]c1ccc(-c2ncncc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA1 P30542 3/20 0.41
ADORA2A P29274 3/20 0.41
ATM Q13315 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5215089 0.89 MAPK9 (0.56) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL30599018 0.89 MAPK9 (0.56) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL31452825 0.83 ADORA1 (0.58) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL29521818 0.83 MAPK9 (0.51) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL31452803 0.83 MAPK9 (0.51) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL29521821 0.80 CYP1A2 (0.52) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL31452806 0.79 NCOA1 (0.68) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL31452796 0.79 MAPK9 (0.48) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL28291279 0.76 ATM (0.46) MAPK9MAPK10NCOA1NCOA3KMT2A
SCHEMBL28280894 0.74 NPSR1 (0.56) MAPK9MAPK10KMT2ACYP1A2TSHR

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
US-8003643-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
EP-1737843-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-01-28 EP disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
CN-1942465-A Inhibitors of AKT activity MERCK & CO INC (US) 2007-04-04 CN disclosed
EP-1737843-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100344-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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 (2 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-20100075970-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT2, AKT1 MAPK9 183/4885MAPK10 449/4885NCOA1 1173/4885
US-20080280889-A1 Inhibitors of Akt Activity AKT2, PIK3CA, AKT1 MAPK9 189/4885MAPK10 434/4885NCOA1 1134/4885

“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.