SCHEMBL2193648

SCHEMBL2193648

CC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1

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 16/20 0.72
AKT3 Q9Y243 15/20 0.72
CYP3A4 P08684 4/20 0.66
CYP2D6 P10635 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C8 P10632 2/20 0.66
CYP2C19 P33261 2/20 0.66

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
Hydrochloric Acid SCHEMBL2174347 0.99 AKT1 (0.98) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL26234267 0.89 AKT1 (0.79) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31544824 0.89 AKT1 (0.79) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL30574827 0.87 AKT1 (0.80) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL25385750 0.87 AKT1 (0.80) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL13570429 0.87 AKT1 (0.77) AKT1AKT2AKT3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL31455629 0.86 AKT1 (0.81) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL30574929 0.85 AKT1 (0.77) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL25385488 0.85 AKT1 (0.77) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL30802360 0.85 AKT1 (0.74) AKT1AKT2AKT3CYP3A4CYP2D6

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
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.