SCHEMBL21629913

SCHEMBL21629913

Cc1cccc(F)c1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TYK2 P29597 3/20 0.55
▸ JAK2 O60674 2/20 0.55
▸ JAK1 P23458 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ NOD2 Q9HC29 1/20 0.55
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CCNA1 P78396 1/20 0.54
▸ ITGB1 P05556 1/20 0.54
▸ ITGA4 P13612 1/20 0.54
▸ RAB9A P51151 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NPC1 O15118 2/20 0.51

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
SCHEMBL16583943 0.89 GAA (0.59) MEN1KMT2ALMNATYK2JAK2
SCHEMBL30739821 0.88 JAK2 (0.69) MEN1KMT2ALMNATYK2JAK2
SCHEMBL15205641 0.88 MEN1 (0.55) MEN1KMT2ALMNATYK2JAK2
SCHEMBL27778779 0.86 MAPT (0.54) MEN1KMT2ALMNATYK2HTT
SCHEMBL15597845 0.84 GAA (0.69) MEN1KMT2ALMNAGAAMAPT
SCHEMBL12334679 0.81 RAB9A (0.56) MEN1KMT2ATYK2JAK2JAK1
SCHEMBL16019837 0.80 ITGB1 (0.47) MEN1KMT2ALMNAHTTCDK1
SCHEMBL16019871 0.80 ITGB1 (0.45) MEN1KMT2ALMNAHTTCDK1
SCHEMBL22871351 0.80 PTGFR (0.52) MEN1KMT2ALMNATYK2JAK2
SCHEMBL14887760 0.79 ITGB1 (0.51) MEN1KMT2ALMNAHTTITGB1

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-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 — — 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-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, SLC10A1, CYP11B2 MEN1 391/4885KMT2A 4157/4885LMNA 1413/4885

“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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