SCHEMBL29394329

SCHEMBL29394329

Nc1ccc(Br)c(F)c1Nc1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ ULK1 O75385 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 7/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL31362013 0.81 HTT (0.43) TDO2IDO1HTTULK1SMN1; SMN2
SCHEMBL21644023 0.79 TDP1 (0.47) HTTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL378949 0.72 SMN1; SMN2 (0.62) HTTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL11559242 0.71 ULK1 (0.54) TDO2IDO1HTTULK1SMN1; SMN2
SCHEMBL1920755 0.70 NPC1 (0.60) HTTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL12128808 0.68 NPC1 (0.60) HTTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2782868 0.68 MAPK14 (0.54) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL17774910 0.67 NPC1 (0.53) HTTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5609123 0.66 ATM (0.65) HTTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL15363908 0.66 EGFR (0.56) HTTSMN1; SMN2KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 — — US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 — — US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 — — US disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 — — 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 (4 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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 TDO2 891/4885IDO1 897/4885HTT 2374/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 TDO2 1613/4885IDO1 550/4885HTT 3160/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 TDO2 1613/4885IDO1 550/4885HTT 3160/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 TDO2 1613/4885IDO1 550/4885HTT 3160/4885

“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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