SCHEMBL23309532

SCHEMBL23309532

O=C(Nc1cnccn1)c1cc(F)nc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALOX15 P16050 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ GSK3A P49840 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
SCHEMBL23309507 0.81 NPC1 (0.57) RAB9ASMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL23309525 0.78 RIOK2 (0.47) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL23309519 0.77 CYP11B2 (0.63) RAB9ASMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL23309505 0.77 ALDH1A1 (0.43) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL23309555 0.75 HTT (0.55) RAB9ANPC1KDM4E
SCHEMBL23309628 0.75 SIRT2 (0.46) RAB9AKMT2ANPC1SIRT2LRRK2
SCHEMBL23309730 0.74 KMT2A (0.47) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL23309488 0.73 CYP1A2 (0.52) RAB9ASMN1; SMN2ALDH1A1KMT2AHSD17B10
SCHEMBL23309708 0.71 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL23309725 0.71 GAA (0.43) ALDH1A1CASP1HSD17B10GAA

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 RAB9A 286/4885SMN1; SMN2 3893/4885ALDH1A1 2033/4885

“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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