SCHEMBL7128686

SCHEMBL7128686

Cc1ncc(-c2cccc(Nc3ncnc4c(C(F)(F)F)cccc34)c2)n1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.47
EGFR P00533 8/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
HIF1A Q16665 1/20 0.38
CD38 P28907 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
SCHEMBL7118472 0.82 EGFR (0.55) RIPK2EGFRABCG2HTTTSHR
SCHEMBL7127529 0.80 RIPK2 (0.46) RIPK2EGFRHTTLMNAKDM4E
SCHEMBL7129801 0.80 RIPK2 (0.48) RIPK2EGFRHTTLMNAKDM4E
SCHEMBL11091858 0.76 EGFR (0.54) EGFRABCG2HTTTSHRLMNA
Hydrochloric Acid SCHEMBL11093405 0.75 HTT (0.53) EGFRABCG2HTTTSHRLMNA
SCHEMBL7128053 0.74 EGFR (0.42) EGFRABCG2HTTTSHRLMNA
SCHEMBL7124246 0.74 RIPK2 (0.43) RIPK2EGFRABCG2LMNAKDM4E
SCHEMBL7125034 0.73 RIPK2 (0.42) RIPK2ABCG2TSHRLMNAKDM4E
SCHEMBL7127650 0.72 MAPT (0.46) RIPK2HTTKDM4ETP53MAPT
SCHEMBL7120296 0.71 RIPK2 (0.41) RIPK2EGFRABCG2MAPTNR1H2

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 1 patent. 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

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 319/4885ABCG2 639/4885

“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.