SCHEMBL20468377

SCHEMBL20468377

CC(C)(C)[C@H](N)c1nc2ccc(-c3cc(F)c(-c4ccc5nc([C@@H](N)C(C)(C)C)[nH]c5c4)cc3F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 10/20 0.50
▸ SCN10A Q9Y5Y9 10/20 0.49

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
SCHEMBL18483092 1.00 AAK1 (0.50) AAK1SCN10A
SCHEMBL18483091 0.86 AAK1 (0.41) AAK1SCN10A
SCHEMBL15116794 0.86 AAK1 (0.57) AAK1SCN10A
SCHEMBL19388413 0.86 AAK1 (0.57) AAK1SCN10A
SCHEMBL15125224 0.81 AAK1 (0.54) AAK1SCN10A
SCHEMBL20468458 0.77 AAK1 (0.52) AAK1SCN10A
SCHEMBL18482559 0.77 AAK1 (0.46) AAK1SCN10A
SCHEMBL15116605 0.76 AAK1 (0.48) AAK1SCN10A
SCHEMBL15116788 0.76 AAK1 (0.48) AAK1SCN10A
SCHEMBL19388627 0.76 AAK1 (0.48) AAK1SCN10A

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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — 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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885SCN10A 4191/4885

“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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