SCHEMBL7124267

SCHEMBL7124267

Cc1ncc(-c2cccc(NC(=O)c3cccc(-c4ccsc4)c3F)c2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.46
FYN P06241 1/20 0.44
IDO1 P14902 5/20 0.41
TP53 P04637 2/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
CLK2 P49760 1/20 0.40
LRRK2 Q5S007 1/20 0.40
GSK3B P49841 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.38
NPY2R P49146 1/20 0.38
MTTP P55157 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 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
SCHEMBL7121293 0.88 FYN (0.40) DYRK1AFYNIDO1BCL9CTNNB1
SCHEMBL7121297 0.88 FYN (0.40) DYRK1AFYNIDO1BCL9CTNNB1
SCHEMBL7120246 0.85 FYN (0.47) DYRK1AFYNIDO1TP53GSK3B
SCHEMBL7120271 0.82 DYRK1A (0.51) DYRK1AIDO1TP53CLK2GSK3B
SCHEMBL7121299 0.79 DYRK1A (0.35) DYRK1AFYNIDO1CLK2GSK3B
SCHEMBL7127529 0.73 RIPK2 (0.46) FYNTP53HTTLMNAKDM4E
SCHEMBL7122934 0.73 FYN (0.42) DYRK1AFYNIDO1GSK3BKDR
SCHEMBL7122931 0.73 FYN (0.42) DYRK1AFYNIDO1GSK3BKDR
SCHEMBL7119935 0.73 RIPK2 (0.41) FYN
SCHEMBL6804624 0.72 DYRK1A (0.57) DYRK1AFYNTP53BCL9CTNNB1

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 DYRK1A 3357/4885FYN 817/4885IDO1 1301/4885

“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.