SCHEMBL2175340

SCHEMBL2175340

Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
AKT2 P31751 17/20 1.00
AKT3 Q9Y243 17/20 1.00
CYP2C9 P11712 4/20 0.64
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59

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
SCHEMBL2178401 0.91 AKT1 (0.85) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL2174671 0.88 AKT1 (1.00) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL2177143 0.88 AKT1 (0.78) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL2189445 0.87 AKT1 (0.83) AKT1AKT2AKT3CYP2C9
SCHEMBL2191934 0.86 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL2173016 0.86 AKT1 (0.78) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL2189586 0.86 AKT1 (0.84) AKT1AKT2AKT3
SCHEMBL27226402 0.85 AKT1 (0.74) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL30815051 0.85 AKT1 (0.74) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL2190097 0.85 AKT1 (0.94) AKT1AKT2AKT3CYP2C9CYP2D6

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 11 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
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
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
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.