SCHEMBL7119929

SCHEMBL7119929

Cc1ncc(-c2cccc(Nc3n[nH]c4c(Br)cccc34)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
DYRK1A Q13627 7/20 0.35
GSK3B P49841 6/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
TTK P33981 1/20 0.35
FADS1 O60427 4/20 0.35
TRPA1 O75762 1/20 0.35
EGFR P00533 2/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL7124246 0.81 RIPK2 (0.43) RIPK2TTKEGFRTP53GAA
SCHEMBL7127650 0.73 MAPT (0.46) RIPK2DYRK1AGSK3BTTKTP53
SCHEMBL4786436 0.72 FADS1 (0.64) DYRK1AGSK3BCLK2FADS1TRPA1
SCHEMBL7120296 0.70 RIPK2 (0.41) RIPK2PRMT5WDR77DYRK1AGSK3B
SCHEMBL7128686 0.70 RIPK2 (0.47) RIPK2EGFRTP53MAPT
SCHEMBL7160086 0.70 RIPK2 (0.41) RIPK2DYRK1AGSK3BCLK2CLK3
SCHEMBL7128067 0.70 ALDH1A1 (0.43) RIPK2DYRK1AGSK3BTTKTP53
SCHEMBL7127543 0.69 KDR (0.54) EGFR
SCHEMBL7125034 0.69 RIPK2 (0.42) RIPK2DYRK1AGSK3BCLK2CLK3
SCHEMBL7127458 0.69 ALDH1A1 (0.42) RIPK2TP53GAAMAPT

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 RIPK2 3457/4885PRMT5 713/4885WDR77 2291/4885

“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.