SCHEMBL2361329

SCHEMBL2361329

N#Cc1ccc(Cn2cnc(N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.54
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 7/20 0.46
LOXL2 Q9Y4K0 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
SCHEMBL2273175 0.80 POLB (0.44) CYP19A1CYP11B1CYP11B2
SCHEMBL13529255 0.79 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2
SCHEMBL2275411 0.78 SMN1; SMN2 (0.44) CYP19A1CYP11B1CYP11B2
SCHEMBL2276464 0.78 LMNA (0.50) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL2360983 0.78 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2
SCHEMBL1860902 0.75 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL2359438 0.74 KMT2A (0.49) CYP19A1
SCHEMBL31272114 0.74 F2R (0.40)
SCHEMBL17458995 0.72 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL28170054 0.72 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
CN-102209537-A Heterocyclic gamma secretase modulators HOFFMANN LA ROCHE 2011-10-05 CN disclosed
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 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 (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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP CYP19A1 3639/4885CYP11B1 2282/4885CYP11B2 2521/4885

“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.