SCHEMBL1949482

SCHEMBL1949482

N#Cc1ccc(Cn2cncc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 1.00
CYP11B2 P19099 18/20 1.00
IDO1 P14902 1/20 0.72
CYP19A1 P11511 1/20 0.61
HPGDS O60760 1/20 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
SCHEMBL3828287 0.87 CYP11B1 (1.00) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL3969041 0.86 CYP11B1 (0.75) CYP11B1CYP11B2IDO1CYP19A1HPGDS
SCHEMBL1948732 0.85 CYP11B1 (0.74) CYP11B1CYP11B2IDO1CYP19A1HPGDS
SCHEMBL1501929 0.85 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL1949527 0.82 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL3823466 0.82 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDS
Hydrochloric Acid SCHEMBL8522661 0.81 CYP11B1 (0.67) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL5891899 0.81 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1
SCHEMBL3822526 0.81 CYP11B1 (1.00) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL3826070 0.81 CYP11B1 (1.00) CYP11B1CYP11B2IDO1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
WO-2009106640-A2 N-BENZYL IMIDAZOLE DERIVATIVES MAASTRICHT UNIVERSITY (NL) 2009-09-03 WO claimed
EP-2095819-A1 N-benzyl imidazole derivatives and their use as aldosterone synthase inhibitors Maastricht University (NL) 2009-09-02 EP claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
WO-2009106640-A2 N-BENZYL IMIDAZOLE DERIVATIVES MAASTRICHT UNIVERSITY (NL) 2009-09-03 WO disclosed
EP-2095819-A1 N-benzyl imidazole derivatives and their use as aldosterone synthase inhibitors Maastricht University (NL) 2009-09-02 EP disclosed
EP-2095819-A1 N-benzyl imidazole derivatives and their use as aldosterone synthase inhibitors Maastricht University (NL) 2009-09-02 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 (2 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885

“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.