SCHEMBL2729830

SCHEMBL2729830

c1cc(Cn2ccnc2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 1.00
CYP11B2 P19099 12/20 0.74
CYP19A1 P11511 7/20 0.74
CYP1A2 P05177 1/20 0.74
POLB P06746 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
MAPT P10636 1/20 0.74
TBXAS1 P24557 1/20 0.74
QPCT Q16769 1/20 0.74
CYP4Z1 Q86W10 1/20 0.74
QPCTL Q9NXS2 1/20 0.74
CYP2A6 P11509 1/20 0.71
CYP2B6 P20813 1/20 0.71
CYP17A1 P05093 1/20 0.65

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
SCHEMBL1024261 0.91 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Hydrochloric Acid SCHEMBL1775141 0.89 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL22063900 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Benzylimidazole SCHEMBL414 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL2529997 0.85 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL6057476 0.85 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Benzylimidazole SCHEMBL27803894 0.84 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Benzylimidazole SCHEMBL16237308 0.83 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL570342 0.83 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Benzylimidazole SCHEMBL31453527 0.83 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
EP-3854475-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA Molecule RND Limited (IE) 2021-07-28 EP disclosed
EP-3854471-A1 IMPROVEMENTS RELATING TO WATER PURIFICATION Molecule RND Limited (IE) 2021-07-28 EP disclosed
US-20210162338-A1 WATER CAPTURE THE UNIVERSITY OF LIMERICK (IE) 2021-06-03 US disclosed
US-20200030737-A1 WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS UNIV LIMERICK (IE) 2020-01-30 US disclosed
WO-2020021112-A1 IMPROVEMENTS RELATING TO WATER CAPTURE UNIVERSITY OF LIMERICK (IE) 2020-01-30 WO disclosed
EP-3599019-A1 IMPROVEMENTS RELATING TO WATER CAPTURE University of Limerick (IE) 2020-01-29 EP disclosed
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
EP-2630136-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES Universität des Saarlandes (DE) 2013-08-28 EP disclosed
WO-2012052540-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2012-04-26 WO disclosed
WO-2012052540-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2012-04-26 WO disclosed
US-5856343-A Imidazolylmethyl-pyridines used for senile dementia NOVARTIS AG (CH) 1999-01-05 US disclosed
US-5635521-A DRUGS TREATING ALZHEIMER'S DISEASE SANDOZ LTD. (CH) 1997-06-03 US disclosed
EP-0534904-B1 Imidazolylmethyl-pyridines SANDOZ LTD (CH) 1996-10-23 EP disclosed
EP-0534904-A1 Imidazolylmethyl-pyridines SANDOZ LTD. (CH) 1993-03-31 EP disclosed
EP-0159011-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DAIICHI SEIYAKU CO., LTD. (JP) 1989-08-02 EP disclosed
US-4833242-A ANTIBIOTICS, BACTERICIDES DAIICHI SEIYAKU CO., LTD. (JP) 1989-05-23 US disclosed
EP-0159011-A2 Cephalosporin derivatives, process for preparing them and pharmaceutical compositions containing them DAIICHI SEIYAKU CO., LTD. (JP) 1985-10-23 EP 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-20200030737-A1 WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS AQP1, AQP3, AQP4 CYP11B1 3902/4885CYP11B2 3610/4885CYP19A1 3272/4885

“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.