SCHEMBL22308707

SCHEMBL22308707

COC(=O)C(C)Cc1c(Cl)ncnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR4 P22455 2/20 0.32
ESRRB O95718 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
NPR3 P17342 1/20 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
SCHEMBL24085671 0.81 ESRRB (0.35) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL2797249 0.74 MAPK1 (0.35) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL2231346 0.72 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL2062770 0.72 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNASMN1; SMN2L3MBTL1
SCHEMBL18923602 0.72 SLC6A4 (0.37) ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL22325264 0.71 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL18080787 0.70 L3MBTL1 (0.45) ALDH1A1THRBL3MBTL1MAPK1P2RX3
SCHEMBL31582778 0.70 L3MBTL1 (0.42) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL762459 0.70 RAB9A (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL22307574 0.69 TSHR (0.41) ALDH1A1HSD17B10LMNASMN1; SMN2L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485276-B Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2024-05-31 CN disclosed
CN-117964620-A AKT inhibitors 南京正大天晴制药有限公司 2024-05-03 CN disclosed
CN-113272304-B AKT inhibitors 南京正大天晴制药有限公司 2024-03-29 CN disclosed
CN-115485276-A Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2022-12-16 CN disclosed
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-2020156437-A1 AKT INHIBITOR 南京正大天晴制药有限公司 2020-08-06 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-20220144821-A1 AKT INHIBITOR AKT2, AKT1, MTOR ALDH1A1 3966/4885CYP2C9 4104/4885CYP2C19 3547/4885

“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.