SCHEMBL7119176

SCHEMBL7119176

Cc1ncc(-c2cccc(Nc3ncnc4c3CCc3ccc(F)cc3-4)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.39
DYRK1A Q13627 3/20 0.37
GSK3B P49841 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK1 Q9BUB5 3/20 0.36
EGFR P00533 2/20 0.36
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ABL1 P00519 1/20 0.34
ABL2 P42684 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34

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
SCHEMBL7126117 0.89 RIPK2 (0.41) RIPK2DYRK1AGSK3BCYP1A2CYP3A4
SCHEMBL7125172 0.88 EGFR (0.39) RIPK2DYRK1AGSK3BCYP1A2CYP3A4
SCHEMBL7125990 0.87 CYP1A2 (0.36) RIPK2DYRK1AGSK3BCYP1A2CYP3A4
SCHEMBL7115986 0.83 DYRK1A (0.38) RIPK2DYRK1AGSK3BCYP1A2CYP3A4
SCHEMBL7127426 0.82 RIPK2 (0.44) RIPK2MKNK1EGFRLMNAHPGD
SCHEMBL7126590 0.81 RIPK2 (0.43) RIPK2MKNK1EGFRLMNAHPGD
SCHEMBL7120220 0.79 EGFR (0.41) RIPK2EGFRABL1
SCHEMBL7119182 0.78 MKNK1 (0.35) MKNK1EGFRABL1ABL2MAPK1
SCHEMBL7118837 0.78 DYRK1A (0.38) RIPK2DYRK1AGSK3BMKNK1EGFR
SCHEMBL7124188 0.76 MKNK1 (0.35) CYP3A4CYP2D6MKNK1EGFRABL1

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US claimed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO claimed
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 RIPK2 3457/4885DYRK1A 3357/4885GSK3B 2048/4885

“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.