SCHEMBL7128055

SCHEMBL7128055

Cc1cn(-c2cccc(Nc3ncnc4c(-c5cccs5)cccc34)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.39
EGFR P00533 4/20 0.38
RIPK2 O43353 4/20 0.38
PIP4K2A P48426 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
MAPK13 O15264 1/20 0.36
AURKB Q96GD4 2/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
RIPK3 Q9Y572 2/20 0.36
HCK P08631 1/20 0.36
NR2C2 P49116 1/20 0.36
BTK Q06187 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
FADS1 O60427 1/20 0.35

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
SCHEMBL7130667 0.83 PIP4K2A (0.38) EGFRRIPK2PIP4K2APIP4K2CAURKB
SCHEMBL7117284 0.83 JUN (0.38) EGFRRIPK2PIP4K2APIP4K2CAURKB
SCHEMBL7129801 0.75 RIPK2 (0.48) EGFRRIPK2AURKBHTTRIPK3
SCHEMBL7115900 0.72 ABL1 (0.38) NR2E1MAPK13
SCHEMBL7122204 0.69 DYRK1A (0.40) NR2E1EGFRMAPK13HIF1A
Hydrochloric Acid SCHEMBL7123978 0.69 DYRK1A (0.40) NR2E1EGFRMAPK13HTTHIF1A
Hydrochloric Acid SCHEMBL7117269 0.69 DYRK1A (0.40) NR2E1EGFRMAPK13HTTHIF1A
SCHEMBL7126625 0.67 EGFR (0.37) EGFRPIP4K2APIP4K2CHTTHIF1A
SCHEMBL7118546 0.66 L3MBTL1 (0.37) EGFRRIPK2PIP4K2APIP4K2CAURKB
SCHEMBL7128444 0.66 PDE4A (0.40) RIPK2HTTRAB9ANPC1

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 NR2E1 326/4885EGFR 319/4885RIPK2 3457/4885

“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.