SCHEMBL23309628

SCHEMBL23309628

O=C(Nc1cccnn1)c1cc(F)nc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.44
▸ FFAR2 O15552 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ FAAH O00519 7/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ GOT1 P17174 1/20 0.37
▸ SORT1 Q99523 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL23309507 0.83 NPC1 (0.57) MEN1KMT2ANPC1RAB9ASORT1
SCHEMBL23309730 0.77 KMT2A (0.47) MEN1KMT2ANPC1RAB9AMAOA
SCHEMBL23309519 0.77 CYP11B2 (0.63) MEN1KMT2ANPC1RAB9ASORT1
SCHEMBL23309490 0.77 GAA (0.51) MEN1KMT2ANPC1RAB9AMAOA
SCHEMBL23309505 0.77 ALDH1A1 (0.43) SIRT2MEN1KMT2ANPC1RAB9A
SCHEMBL23309555 0.75 HTT (0.55) NPC1RAB9AJAK2ROCK2ROCK1
SCHEMBL23309532 0.75 RAB9A (0.51) SIRT2LRRK2KMT2ANPC1RAB9A
SCHEMBL23309708 0.74 RAB9A (0.52) KMT2ANPC1RAB9AJAK2JAK1
SCHEMBL23309594 0.73 POLB (0.50) KMT2ANPC1MAOAMAOB
SCHEMBL23309725 0.71 GAA (0.43) JAK2JAK1TYK2MAOAMAOB

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-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 — — 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-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL SIRT2 2734/4885LRRK2 1381/4885FFAR2 4638/4885

“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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