SCHEMBL7124246

SCHEMBL7124246

Cc1ncc(-c2cccc(Nc3nccc4c(Br)cccc34)c2)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.43
EGFR P00533 4/20 0.37
TNF P01375 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
TTK P33981 3/20 0.36
LMNA P02545 1/20 0.35
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 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
SCHEMBL7160086 0.84 RIPK2 (0.41) RIPK2EGFRKDM4EALDH1A1TTK
SCHEMBL7125034 0.83 RIPK2 (0.42) RIPK2KDM4EALDH1A1GAATTK
SCHEMBL7119935 0.82 RIPK2 (0.41) RIPK2TTK
SCHEMBL7119929 0.81 RIPK2 (0.39) RIPK2EGFRGAATTKTP53
SCHEMBL7117237 0.77 EGFR (0.49) EGFRTNFLMNAABCG2CCNA2
SCHEMBL7127650 0.77 MAPT (0.46) RIPK2KDM4EALDH1A1GAATTK
SCHEMBL7120296 0.76 RIPK2 (0.41) RIPK2EGFRALDH1A1GAAABCG2
SCHEMBL7127543 0.75 KDR (0.54) EGFRALDH1A1NPC1RAB9A
SCHEMBL7128686 0.74 RIPK2 (0.47) RIPK2EGFRKDM4ELMNAABCG2
SCHEMBL7128312 0.73 AHR (0.52) EGFRTNFKDM4EGAALMNA

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 3457/4885EGFR 319/4885TNF 4571/4885

“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.