SCHEMBL5045386

SCHEMBL5045386

N#Cc1ccc(C2CCCc3ncncc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.43
CYP19A1 P11511 10/20 0.43
CYP11B1 P15538 10/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5132733 0.77 CHRNB2 (0.47) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL14317861 0.74 CYP19A1 (0.39) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL14243762 0.74 CYP19A1 (0.39) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL14278881 0.70 CHRNB2 (0.46) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL6435720 0.68 CYP19A1 (0.42) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL12163033 0.66 CYP19A1 (0.32) CYP19A1
SCHEMBL9537354 0.66 NTRK1 (0.33) CYP19A1
SCHEMBL13983944 0.66 NTRK1 (0.33) CYP19A1
SCHEMBL2669662 0.66 CYP11B1 (0.39) CYP11B2CYP19A1CYP11B1
SCHEMBL29649344 0.66 CYP11B1 (0.38) CYP11B2CYP19A1CYP11B1KCNH2

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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 US disclosed
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 US disclosed
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 US disclosed
CN-1968930-A Bicyclic nitrogen-containing heterocycles as aromatase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-05-23 CN 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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors CYP19A1, NR5A1, HSD17B11 CYP11B2 6/4885CYP19A1 1/4885CYP11B1 5/4885

“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.