SCHEMBL17899564

SCHEMBL17899564

CC(C)N1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.71
IKBKB O14920 5/20 0.71
PRKAG1 P54619 5/20 0.71
PRKAA1 Q13131 5/20 0.71
NEK1 Q96PY6 5/20 0.71
PRKAB1 Q9Y478 5/20 0.71
RAF1 P04049 3/20 0.71
RPS6KB1 P23443 3/20 0.71
AKT1 P31749 3/20 0.71
AKT2 P31751 3/20 0.71
KDR P35968 3/20 0.71
MAPKAPK2 P49137 3/20 0.71
MAP2K1 Q02750 3/20 0.71
PRDX1 Q06830 1/20 0.59
MAPK14 Q16539 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 5/20 0.58
NPC1 O15118 5/20 0.58
ALDH1A1 P00352 3/20 0.58

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
SCHEMBL17899480 0.88 SMN1; SMN2 (0.80) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL27218175 0.83 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL29437157 0.83 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL8120726 0.83 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899578 0.79 MAPK1 (0.71) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899568 0.77 NPC1 (0.71) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899506 0.76 ALDH1A1 (0.68) MAPK1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL17899571 0.76 SMN1; SMN2 (0.56) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL31518771 0.76 ACHE (0.58) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL8106620 0.74 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1

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-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer BAYLOR COLLEGE OF MEDICINE (US) 2022-04-26 US disclosed
US-20210115017-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2021-04-22 US disclosed
US-10875841-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2020-12-29 US disclosed
US-20200071300-A1 Small Molecule Stimulators of Steroid Receptor Coactivator-3 and Methods of Their Use as Cardioprotective and/or Vascular Regenerative Agents BAYLOR COLLEGE OF MEDICINE (US) 2020-03-05 US disclosed
WO-2016109470-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR PROTEINS AND THEIR USE IN THE TREATMENT OF CANCER BAYLOR COLLEGE OF MEDICINE (US) 2016-07-07 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 (6 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-20200071300-A1 Small Molecule Stimulators of Steroid Receptor Coactivator-3 and Methods of Their Use as Cardioprotective and/or Vascular Regenerative Agents NCOA3, FABP3, NCOA1 MAPK1 1806/4885IKBKB 533/4885PRKAG1 346/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 MAPK1 2693/4885IKBKB 509/4885PRKAG1 175/4885
US-20210115017-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MAPK1 1806/4885IKBKB 533/4885PRKAG1 346/4885
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MAPK1 1806/4885IKBKB 533/4885PRKAG1 346/4885
US-10875841-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MAPK1 1806/4885IKBKB 533/4885PRKAG1 346/4885
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MAPK1 1806/4885IKBKB 533/4885PRKAG1 346/4885

“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.