SCHEMBL2728635

SCHEMBL2728635

N#Cc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 20/20 1.00
CYP11B2 P19099 12/20 0.71
CYP19A1 P11511 1/20 0.70

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
SCHEMBL2728802 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
SCHEMBL2730687 0.84 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL771716 0.83 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
SCHEMBL2719265 0.83 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
SCHEMBL2728400 0.83 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL2731776 0.82 CYP11B1 (1.00) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8307735 0.82 CYP11B1 (0.97) CYP11B1CYP11B2CYP19A1
Hydrazine SCHEMBL28019549 0.81 CYP11B1 (0.94) CYP11B1CYP11B2CYP19A1
SCHEMBL2728383 0.81 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL2729398 0.80 CYP11B1 (1.00) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 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

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-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES HSD11B1, CYP11B1, HSD11B2 CYP11B1 2/4885CYP11B2 4/4885CYP19A1 38/4885

“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.