SCHEMBL25964332

SCHEMBL25964332

Nc1ncccc1-c1nc2ccc(-c3ccc(N4CC5(CCOCC5)C4)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.76
AKT2 P31751 8/20 0.76
AKT3 Q9Y243 8/20 0.76
CYP2D6 P10635 6/20 0.76
CYP2C9 P11712 6/20 0.76
CYP3A4 P08684 4/20 0.76
CYP2C8 P10632 4/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C19 P33261 2/20 0.76

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
SCHEMBL25964331 0.93 AKT1 (0.76) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL12420099 0.91 AKT1 (0.79) AKT1AKT2AKT3CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2192415 0.90 AKT1 (0.80) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL30086167 0.86 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL2187875 0.86 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL29372652 0.86 AKT1 (1.00) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL26881159 0.86 AKT1 (0.77) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2172566 0.86 AKT1 (0.85) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL2194123 0.86 AKT1 (0.88) AKT1AKT2AKT3CYP2D6CYP2C9
Miransertib SCHEMBL2177342 0.86 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP 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-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 AKT1 3/4885AKT2 1/4885AKT3 4/4885

“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.