SCHEMBL20877690

SCHEMBL20877690

CC(=O)Nc1cc(C(C)(C)SS)ccn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
PIK3C3 Q8NEB9 16/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL84506 0.83 L3MBTL1 (0.52) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL20877691 0.79 L3MBTL1 (0.47) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL3192275 0.78 L3MBTL1 (0.55) L3MBTL1PIK3C3NR3C2AR
SCHEMBL2642302 0.73 L3MBTL1 (0.55) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL13543138 0.71 PIK3C3 (0.49) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL19736191 0.71 L3MBTL1 (0.57) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL91475 0.71 ALDH1A1 (0.60) L3MBTL1PIK3C3
SCHEMBL2642300 0.71 L3MBTL1 (0.57) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL13165570 0.71 TYK2 (0.66) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL30441586 0.71 L3MBTL1 (0.57) L3MBTL1PIK3C3JAK2JAK1TYK2

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-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 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-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 L3MBTL1 2143/4885PIK3C3 430/4885JAK2 798/4885

“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.