SCHEMBL211725

SCHEMBL211725

O=CNc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.65
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
SCN4A P35499 2/20 0.58
SCN9A Q15858 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
GMNN O75496 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
SLC6A2 P23975 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL2116986 0.83 NPC1 (0.68) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL9776980 0.82 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL211763 0.82 NPC1 (0.64) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8430889 0.82 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL18154477 0.81 DYRK1A (0.81) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL18154178 0.80 DYRK1A (0.79) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL29975006 0.80 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL28878452 0.80 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL19850784 0.80 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL23104940 0.79 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-07-29 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885

“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.