SCHEMBL31362013

SCHEMBL31362013

Nc1c(Nc2ccc3c(c2)OCO3)ccc(Br)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ ULK1 O75385 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK9 P45984 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
SCHEMBL29394329 0.81 TDO2 (0.44) HTTNPC1RAB9AULK1KMT2A
SCHEMBL378949 0.72 SMN1; SMN2 (0.62) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL21644023 0.71 TDP1 (0.47) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL1920761 0.71 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2782868 0.71 MAPK14 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1920755 0.70 NPC1 (0.60) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL28596239 0.69 MEN1 (0.45) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL29394293 0.69 MEN1 (0.45) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL12128808 0.68 NPC1 (0.60) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL7928874 0.67 DHODH (0.61) HTTNPC1RAB9AKMT2AMEN1

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-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

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-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 HTT 3160/4885NPC1 3961/4885RAB9A 4181/4885

“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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