SCHEMBL22024855

SCHEMBL22024855

Cn1ccc2nc(-c3cccc(NC(=S)Nc4cccc(C(F)(F)F)c4)c3)nc(NCc3ccncc3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.53
FLT1 P17948 6/20 0.53
EPHB4 P54760 12/20 0.50
TEK Q02763 3/20 0.50
ABL1 P00519 2/20 0.50
EGFR P00533 2/20 0.50
PDGFRB P09619 2/20 0.50
FLT4 P35916 2/20 0.50
PRKCB P05771 1/20 0.50
INSR P06213 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
LYN P07948 1/20 0.50
SRC P12931 1/20 0.50
PRKCA P17252 1/20 0.50
FGFR4 P22455 1/20 0.50
EPHA2 P29317 1/20 0.50
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
ZAP70 P43403 1/20 0.50

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
SCHEMBL22024854 0.92 EPHB4 (0.60) KDRFLT1EPHB4TEKABL1
SCHEMBL22024648 0.91 EPHB4 (0.52) KDRFLT1EPHB4TEKABL1
SCHEMBL22025049 0.88 ABCG2 (0.48) KDREGFRALDH1A1LMNANPSR1
SCHEMBL22024587 0.84 KIF11 (0.45) KDREPHB4ABL1EGFRPDGFRB
SCHEMBL22024647 0.83 EPHB4 (0.61) KDRFLT1EPHB4TEKABL1
SCHEMBL22024568 0.82 KDR (0.53) KDRFLT1EPHB4TEKABL1
SCHEMBL22065250 0.80 USP2 (0.43) EPHB4ALDH1A1LMNA
SCHEMBL22025053 0.80 KDR (0.50) KDRFLT1EPHB4TEKABL1
SCHEMBL22065232 0.80 EPHB4 (0.49) KDRFLT1EPHB4TEKABL1
SCHEMBL22065252 0.79 USP2 (0.46) KDRFLT1EPHB4ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 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 (2 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-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A KDR 148/4885FLT1 421/4885EPHB4 4427/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KDR 148/4885FLT1 421/4885EPHB4 4427/4885

“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.