SCHEMBL7130459

SCHEMBL7130459

Clc1ncnc2c1CCc1ccsc1-2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
MAP3K14 Q99558 1/20 0.33
DYRK1A Q13627 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL7122202 0.81 NOS3 (0.37) NOS3NOS2MAP3K14DYRK1AADRA2A
SCHEMBL29558555 0.75 AXL (0.40) AXLMKNK1MKNK2NOS2DYRK1A
SCHEMBL7125553 0.75 AXL (0.40) AXLMKNK1MKNK2NOS2DYRK1A
SCHEMBL7130469 0.70 DYRK1A (0.66) DYRK1A
SCHEMBL15763737 0.67 NOS3 (0.52) NOS3NOS2MAP3K14DYRK1AADRA2A
SCHEMBL7130556 0.66 DYRK1A (0.41) DYRK1A
SCHEMBL10846040 0.63 BCHE (0.37) NOS3NOS2ADRA2AADRA2B
SCHEMBL9837155 0.61 DYRK1A (0.54) NOS3DYRK1A
SCHEMBL14127850 0.61 NOTUM (0.37) NOS3NOS2ADRA2AADRA2B
SCHEMBL14127843 0.60 NOTUM (0.53) NOS3NOS2

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 AXL 529/4885MKNK1 2608/4885MKNK2 2124/4885

“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.