SCHEMBL2176121

SCHEMBL2176121

CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(NC(=O)O)CCC5)cc4)c3n2)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.83
AKT2 P31751 12/20 0.83
AKT3 Q9Y243 12/20 0.83
CYP2C9 P11712 5/20 0.83
CYP2C8 P10632 3/20 0.83
CYP2D6 P10635 2/20 0.83
CYP2C19 P33261 1/20 0.62

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
SCHEMBL12487418 0.93 AKT1 (0.83) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL14321786 0.92 AKT1 (0.83) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL12419886 0.91 AKT1 (0.76) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL2175899 0.91 AKT1 (1.00) AKT1AKT2AKT3CYP2C9CYP2C8
Hydrochloric Acid SCHEMBL2193303 0.90 AKT1 (1.00) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL14321673 0.89 AKT1 (0.70) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL2174264 0.89 AKT1 (0.89) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL2192652 0.88 AKT1 (1.00) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL14322432 0.88 AKT1 (0.76) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL2173462 0.86 AKT1 (0.77) AKT1AKT2AKT3CYP2C9CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 AKT1 2285/4885AKT2 1216/4885AKT3 1380/4885

“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.