SCHEMBL682275

SCHEMBL682275

CC(C)c1cncc(C#N)n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL14669283 0.81 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL26060656 0.79
SCHEMBL3293682 0.77 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL1106488 0.77 NOS3 (0.36)
SCHEMBL2632677 0.71
SCHEMBL179277 0.71 HSD11B1 (0.41)
SCHEMBL25083907 0.71 HTT (0.40) CYP11B1CYP11B2
SCHEMBL13822034 0.69 NOS3 (0.34)
SCHEMBL1162069 0.69 NOS3 (0.35)
SCHEMBL2628915 0.68 PANK3 (0.35)

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 US disclosed
WO-2023028489-A1 COMPOSITIONS AND METHODS FOR TREATING PROTEOTOXICITY-ASSOCIATED DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2023-03-02 WO disclosed
WO-2021262836-A1 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL SUBSTITUTED NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
US-20210395217-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-23 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
WO-2020132504-A1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US 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 (11 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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R CYP11B1 114/4885CYP11B2 89/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD CYP11B1 780/4885CYP11B2 771/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CYP11B1 1616/4885CYP11B2 2437/4885
US-20210395217-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 CYP11B1 16/4885CYP11B2 24/4885
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B CYP11B1 80/4885CYP11B2 134/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CYP11B1 708/4885CYP11B2 648/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP11B1 772/4885CYP11B2 922/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP11B1 711/4885CYP11B2 1011/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP11B1 663/4885CYP11B2 688/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP11B1 663/4885CYP11B2 688/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CYP11B1 1776/4885CYP11B2 2450/4885

“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.