SCHEMBL4258498

SCHEMBL4258498

OCc1ccc2ncc(Br)n2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.40
CHEK1 O14757 2/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
TYR P14679 1/20 0.35
PLK1 P53350 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL4253252 0.79 FYN (0.40) FYNCHEK1CHEK2ABL1TYR
SCHEMBL4253156 0.79 FYN (0.41) FYNCHEK1CHEK2ABL1TYR
SCHEMBL13745284 0.79 TGFBR1 (0.40) FYNCHEK1CHEK2ABL1TYR
SCHEMBL3029604 0.75 MAP3K14 (0.49) SCN10A
SCHEMBL13873982 0.72 FYN (0.55) FYNCHEK1CHEK2ABL1
SCHEMBL30217954 0.72 MAP3K14 (0.40) CHEK1SCN10A
SCHEMBL3020269 0.72 POLB (0.51)
SCHEMBL3026036 0.72 MAP3K14 (0.33) SCN10A
Bromide SCHEMBL3016136 0.70 POLB (0.50)
SCHEMBL31251397 0.70 ADORA3 (0.47) FYNCHEK1CHEK2ABL1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232566-B Amide compound, preparation method thereof and application thereof in herbicide 中新科农(山东)生态农业有限公司 2021-03-12 CN disclosed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 US disclosed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A FYN 115/4885CHEK1 553/4885CHEK2 316/4885

“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.