SCHEMBL2194093

SCHEMBL2194093

COC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
AKT2 P31751 10/20 0.72
AKT3 Q9Y243 10/20 0.72
CYP2D6 P10635 6/20 0.72
CYP2C9 P11712 6/20 0.72
CYP3A4 P08684 4/20 0.72
CYP2C8 P10632 4/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C19 P33261 2/20 0.72

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
SCHEMBL2190929 0.90 AKT1 (0.82) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2191573 0.90 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2192430 0.86 AKT1 (0.76) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2190930 0.86 AKT1 (0.77) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2174264 0.86 AKT1 (0.89) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2192652 0.85 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL28371858 0.85 AKT1 (0.78) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL29638213 0.85 AKT1 (0.87) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL29372652 0.84 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL2187875 0.84 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9

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-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
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
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US 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.