SCHEMBL20091120

SCHEMBL20091120

CN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)ncn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.65

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
SCHEMBL21037498 0.83 MAP3K12 (0.55) MAP3K12
SCHEMBL16220038 0.82 MAP3K12 (0.80) MAP3K12
SCHEMBL20068770 0.80 MAP3K12 (0.64) MAP3K12
SCHEMBL21688453 0.80 MAP3K12 (0.64) MAP3K12
SCHEMBL16220367 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL16220486 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL19771659 0.78 MAP3K12 (0.71) MAP3K12
SCHEMBL16220233 0.78 MAP3K12 (0.84) MAP3K12
SCHEMBL16220084 0.77 MAP3K12 (0.91) MAP3K12
SCHEMBL16220371 0.77 MAP3K12 (1.00) MAP3K12

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-20180110864-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-26 — — 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-20180110864-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 MAP3K12 524/4885

“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.

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