SCHEMBL21385482

SCHEMBL21385482

CC(C)c1ccc(CC(C)(C)c2cncnc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL13547890 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL19802021 0.80 CYP19A1 (0.39) CYP19A1ESR1ESR2
SCHEMBL25159075 0.77 AAK1 (0.32) ESR1ESR2
SCHEMBL24112018 0.76 CYP19A1 (0.33) CYP19A1
SCHEMBL25150684 0.76 ESR1 (0.40) ESR1ESR2
SCHEMBL22768844 0.74 ESR1 (0.41) ESR1ESR2
SCHEMBL20920347 0.70 CYP19A1 (0.33) CYP19A1ESR1ESR2
SCHEMBL21094546 0.70 ESR1 (0.33) CYP19A1ESR1ESR2
SCHEMBL19107508 0.69 ESR1 (0.37) ESR1ESR2
SCHEMBL2604908 0.69 ESR1 (0.42) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 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-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF CYP19A1 4725/4885ESR1 4356/4885ESR2 2412/4885

“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.