SCHEMBL14940865

SCHEMBL14940865

O=CN1CCOC(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.47
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
AKT1 P31749 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL29335643 1.00 PDK1 (0.47) PDK1ADORA2AADORA1AKT1ALOX5AP
SCHEMBL27731539 0.81 PDK1 (0.34) PDK1
SCHEMBL29221314 0.81 ALDH1A1 (0.34)
SCHEMBL22732907 0.81 CHEK1 (0.35) PRKCGPRKCBPRKCAPRKCHPRKCZ
SCHEMBL29221316 0.81 AKT1 (0.31) AKT1
SCHEMBL29221312 0.81 ALDH1A1 (0.34)
SCHEMBL3403132 0.81 CHEK1 (0.35) PRKCGPRKCBPRKCAPRKCHPRKCZ
SCHEMBL29221319 0.81 AKT1 (0.31) AKT1
SCHEMBL9779313 0.81 KDM4E (0.31) PDK1
SCHEMBL27731603 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425743-A Benzo heterocyclic compound serving as PI3K alpha kinase inhibitor, and preparation method and application thereof 贵州医科大学 2023-07-14 CN claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN claimed
CN-116425743-A Benzo heterocyclic compound serving as PI3K alpha kinase inhibitor, and preparation method and application thereof 贵州医科大学 2023-07-14 CN disclosed
US-11390609-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-07-19 US disclosed
CN-111377911-B Morpholine benzamide compound and application thereof 江苏恩华药业股份有限公司 2022-05-24 CN disclosed
CN-111377911-A Morpholine benzamide compound and application thereof 江苏恩华药业股份有限公司 2020-07-07 CN disclosed
CN-106488916-A The new 2,5 substituted miazines as PDE inhibitor 格吕伦塔尔有限公司 2017-03-08 CN disclosed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 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-11390609-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof ROCK1, ROCK2, RHOA PDK1 2039/4885ADORA2A 3184/4885ADORA1 2891/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 PDK1 1027/4885ADORA2A 208/4885ADORA1 342/4885

“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.