Sugi Predict

Sugi Predict / Compounds / SCHEMBL22024880

SCHEMBL22024880

SCHEMBL22024880

Cn1ncc2c(NCc3cccnc3)nc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHB4 P54760 8/20 0.61
▸ KDR P35968 4/20 0.61
▸ DDR1 Q08345 2/20 0.61
▸ DDR2 Q16832 2/20 0.61
▸ ABL1 P00519 2/20 0.61
▸ EGFR P00533 2/20 0.61
▸ PRKCB P05771 2/20 0.61
▸ INSR P06213 2/20 0.61
▸ LCK P06239 2/20 0.61
▸ FYN P06241 2/20 0.61
▸ LYN P07948 2/20 0.61
▸ PDGFRB P09619 2/20 0.61
▸ SRC P12931 2/20 0.61
▸ PRKCA P17252 2/20 0.61
▸ EPHA2 P29317 2/20 0.61
▸ AKT1 P31749 2/20 0.61
▸ FLT3 P36888 2/20 0.61
▸ SYK P43405 2/20 0.61
▸ GSK3B P49841 2/20 0.61
▸ CDK5 Q00535 2/20 0.61

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
SCHEMBL22025033 0.92 EPHB4 (0.57) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22025032 0.92 EPHB4 (0.57) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22025542 0.92 EPHB4 (0.59) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22024568 0.84 KDR (0.53) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22024565 0.84 KDR (0.53) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22024647 0.83 EPHB4 (0.61) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22024714 0.82 EPHB4 (0.55) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22119546 0.79 BRAF (0.82) EPHB4KDRDDR1DDR2ABL1
SCHEMBL22024719 0.78 PIK3CA (0.53) FYNHSD17B10LMNAMAPK1CLK4
SCHEMBL21410756 0.76 MAPK14 (0.74) EPHB4KDRDDR1DDR2ABL1

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 EPHB4 4427/4885KDR 148/4885DDR1 1422/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A EPHB4 4427/4885KDR 148/4885DDR1 1422/4885

“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.