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Sugi Predict / Compounds / SCHEMBL22024568

SCHEMBL22024568

SCHEMBL22024568

Cn1ncc2c(NCc3ccncc3)nc(-c3cccc(NC(=S)Nc4cccc(C(F)(F)F)c4)c3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.53
▸ FLT1 P17948 5/20 0.53
▸ EPHB4 P54760 9/20 0.53
▸ ABL1 P00519 3/20 0.53
▸ EGFR P00533 3/20 0.53
▸ PDGFRB P09619 3/20 0.53
▸ PRKCB P05771 2/20 0.53
▸ INSR P06213 2/20 0.53
▸ LCK P06239 2/20 0.53
▸ FYN P06241 2/20 0.53
▸ LYN P07948 2/20 0.53
▸ SRC P12931 2/20 0.53
▸ PRKCA P17252 2/20 0.53
▸ EPHA2 P29317 2/20 0.53
▸ AKT1 P31749 2/20 0.53
▸ FLT3 P36888 2/20 0.53
▸ SYK P43405 2/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ PRKCQ Q04759 2/20 0.53

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
SCHEMBL22025032 0.92 EPHB4 (0.57) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22025542 0.92 EPHB4 (0.59) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22024565 0.92 KDR (0.53) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22024880 0.84 EPHB4 (0.61) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22025033 0.84 EPHB4 (0.57) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22024855 0.82 KDR (0.53) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22065232 0.79 EPHB4 (0.49) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22024877 0.77 BCDIN3D (0.50) IRAK1IRAK4BCDIN3DPDE2APIK3CA
SCHEMBL22024648 0.75 EPHB4 (0.52) KDRFLT1EPHB4ABL1EGFR
SCHEMBL22024854 0.74 EPHB4 (0.60) KDRFLT1EPHB4ABL1EGFR

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.