SCHEMBL1662218

SCHEMBL1662218

O=C1CC(C(F)(F)F)c2c(Cl)ncnc2N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 8/20 0.43
AKT1 P31749 7/20 0.43
AKT2 P31751 4/20 0.43
PRKCB P05771 2/20 0.34
RPS6KB1 P23443 2/20 0.34
RPS6KA1 Q15418 2/20 0.34
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL1662216 1.00 AKT3 (0.43) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL1662193 0.78 AKT3 (0.42) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL1662194 0.78 AKT3 (0.42) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL1662188 0.75 AKT3 (0.34) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL1662190 0.75 AKT3 (0.34) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL22308124 0.74 AKT1 (0.51) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL24085528 0.72 AKT1 (0.51) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL22308123 0.67 AKT3 (0.59) AKT3AKT1AKT2PRKCBRPS6KB1
SCHEMBL2062904 0.67 GSK3B (0.33)
SCHEMBL24410972 0.67 AKT1 (0.40) AKT3AKT1AKT2

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
US-20220144821-A1 AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2022-05-12 US disclosed
EP-3919491-A1 AKT INHIBITOR Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2021-12-08 EP disclosed
WO-2021228223-A1 DEUTERATED AKT KINASE INHIBITOR 南京正大天晴制药有限公司 2021-11-18 WO disclosed
WO-2020156437-A1 AKT INHIBITOR 南京正大天晴制药有限公司 2020-08-06 WO disclosed
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 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 (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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 AKT3 3/4885AKT1 4/4885AKT2 1/4885
US-20220144821-A1 AKT INHIBITOR AKT2, AKT1, MTOR AKT3 4/4885AKT1 2/4885AKT2 1/4885

“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.