SCHEMBL22024647

SCHEMBL22024647

Cn1ccc2nc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)nc(NCc3cccnc3)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 9/20 0.61
DDR1 Q08345 1/20 0.51
DDR2 Q16832 1/20 0.51
KDR P35968 5/20 0.50
FLT1 P17948 2/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 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
PDGFRB P09619 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
FLT4 P35916 1/20 0.50
FLT3 P36888 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
SCHEMBL22024648 0.92 EPHB4 (0.52) EPHB4DDR1DDR2KDRFLT1
SCHEMBL22024854 0.91 EPHB4 (0.60) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22025047 0.88 KDR (0.49) EPHB4DDR1DDR2KDRFLT1
SCHEMBL22024855 0.83 KDR (0.53) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22024880 0.83 EPHB4 (0.61) EPHB4DDR1DDR2KDRFLT1
SCHEMBL22025053 0.83 KDR (0.50) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22025058 0.82 EPHB4 (0.55) EPHB4KDRTEKUSP2CYP1A2
SCHEMBL22024587 0.80 KIF11 (0.45) EPHB4DDR1DDR2KDRABL1
SCHEMBL22065255 0.80 CYP1A2 (0.54) USP2CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL22025049 0.75 ABCG2 (0.48) KDREGFRUSP2CYP1A2CYP3A4

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-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US 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 EPHB4 4427/4885DDR1 1422/4885DDR2 2054/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A EPHB4 4427/4885DDR1 1422/4885DDR2 2054/4885

“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.