SCHEMBL2279649

SCHEMBL2279649

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)CCc5cccnc5)cc4)nc3ccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
HDAC1 Q13547 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.42
PTGFR P43088 1/20 0.42
TP53 P04637 1/20 0.41
ENPP2 Q13822 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2277096 0.92 LMNA (0.50) KCNH2HDAC1CYP1A2CYP2C9AKT1
Hydrochloric Acid SCHEMBL2279148 0.92 LMNA (0.49) KCNH2HDAC1CYP1A2CYP2C9AKT1
SCHEMBL14796819 0.87 AKT1 (0.47) KCNH2AKT1AKT2ALDH1A1LMNA
SCHEMBL2279809 0.87 AKT1 (0.49) KCNH2AKT1AKT2LMNATP53
SCHEMBL2279249 0.86 ALDH1A1 (0.47) KCNH2AKT1AKT2ALDH1A1MEN1
SCHEMBL2287790 0.86 PTGFR (0.46) KCNH2AKT1AKT2ALDH1A1MEN1
SCHEMBL2278868 0.86 AKT1 (0.48) KCNH2CYP2C9CYP2C19AKT1AKT2
SCHEMBL2287572 0.85 AKT1 (0.45) KCNH2AKT1AKT2ALDH1A1GAA
SCHEMBL2279950 0.85 AKT1 (0.46) KCNH2HDAC1AKT1AKT2ALDH1A1
SCHEMBL2279645 0.85 AKT1 (0.47) KCNH2HDAC1AKT1AKT2ALDH1A1

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 10 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-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

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 KCNH2 3672/4885HDAC1 253/4885CYP1A2 3424/4885

“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.