SCHEMBL19630453

SCHEMBL19630453

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NNc4cccc(O)c4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.87
▸ PRKAG1 P54619 1/20 0.87
▸ PRKAA2 P54646 1/20 0.87
▸ PRKAA1 Q13131 1/20 0.87
▸ PRKAG3 Q9UGI9 1/20 0.87
▸ PRKAG2 Q9UGJ0 1/20 0.87
▸ PRKAB1 Q9Y478 1/20 0.87
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PRMT6 Q96LA8 1/20 0.46
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA5A P35218 2/20 0.42
▸ CA7 P43166 2/20 0.42

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
SCHEMBL716606 0.93 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29611296 0.93 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19236034 0.93 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001662 0.93 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20880463 0.85 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001663 0.85 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14922196 0.83 PRKAB2 (0.83) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31685604 0.83 PRKAB2 (0.71) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20663726 0.83 PRKAB2 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20663730 0.82 PRKAB2 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-10596144-B2 Treating or preventing nephrogenic diabetes insipidus EMORY UNIVERSITY (US) 2020-03-24 — — US claimed
US-20180092876-A1 Treating or Preventing Nephrogenic Diabetes Insipidus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-05 — — US claimed
US-9827222-B2 Treating or preventing nephrogenic diabetes insipidus EMORY UNIVERSITY (US) 2017-11-28 — — US claimed
US-20230364039-A1 Methods of Managing Side Effects of a Vasopressin Receptor Antagonist Therapy UNIV EMORY (US) 2023-11-16 — — US disclosed
US-20220031639-A1 SUBSTITUTED CYCLOALKANES FOR MANAGING NEPHROGENIC DIABETES INSIPIDUS NEPHRODI THERAPEUTICS, INC. 2022-02-03 — — US disclosed
US-11179354-B2 Substituted cycloalkanes for managing nephrogenic diabetes insipidus NEPHRODI THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
US-20200383940-A1 Managing Nephrogenic Diabetes Insipidus EMORY UNIVERSITY 2020-12-10 — — US disclosed
EP-3618821-A1 MANAGING NEPHROGENIC DIABETES INSIPIDUS Emory University (US) 2020-03-11 — — EP disclosed
WO-2018144570-A1 MANAGING NEPHROGENIC DIABETES INSIPIDUS EMORY UNIVERSITY (US) 2018-08-09 — — 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 (4 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-20230364039-A1 Methods of Managing Side Effects of a Vasopressin Receptor Antagonist Therapy AVPR2, AVPR1A, AVPR1B PRKAB2 29/4885PRKAG1 12/4885PRKAA2 25/4885
US-20220031639-A1 SUBSTITUTED CYCLOALKANES FOR MANAGING NEPHROGENIC DIABETES INSIPIDUS SLC5A2, SLC5A1, IAPP PRKAB2 3417/4885PRKAG1 3436/4885PRKAA2 2741/4885
US-20200383940-A1 Managing Nephrogenic Diabetes Insipidus SLC5A2, SLC5A1, IAPP PRKAB2 3120/4885PRKAG1 3042/4885PRKAA2 2819/4885
US-11179354-B2 Substituted cycloalkanes for managing nephrogenic diabetes insipidus SLC5A2, SLC5A1, IAPP PRKAB2 3380/4885PRKAG1 3518/4885PRKAA2 2582/4885

“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.

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