SCHEMBL17545682

SCHEMBL17545682

CC(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.60
AKT2 P31751 20/20 0.60
AKT3 Q9Y243 20/20 0.60
PIK3CA P42336 1/20 0.56
PRKG1 Q13976 1/20 0.56

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
SCHEMBL12211127 0.95 AKT1 (0.56) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL927111 0.90 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL925482 0.90 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2367614 0.90 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191524 0.90 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL25230276 0.90 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2367210 0.86 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16250566 0.84 AKT1 (0.53) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12194050 0.84 AKT1 (0.53) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192707 0.83 AKT1 (0.55) AKT1AKT2AKT3PIK3CAPRKG1

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
WO-2023109540-A1 HETEROCYCLIC COMPOUND WITH AKT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-06-22 WO disclosed
WO-2019173516-A1 SERINE THREONINE KINASE (AKT) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-12 WO disclosed
US-9610289-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2017-04-04 US disclosed
US-20170065588-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH INC (US) 2017-03-09 US disclosed
US-20160051550-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE GENENTECH, INC. (US) 2016-02-25 US 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 (2 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-20160051550-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE AKT1, AKT2, MTOR AKT1 1/4885AKT2 2/4885AKT3 5/4885
US-20170065588-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS TP53, TSG101, CD44 AKT1 2481/4885AKT2 2132/4885AKT3 1921/4885

“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.