SCHEMBL22025047

SCHEMBL22025047

Cn1ccc2nc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)nc(Nc3cccnc3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
EPHB4 P54760 3/20 0.48
AURKA O14965 3/20 0.48
PDGFRB P09619 3/20 0.48
BRAF P15056 3/20 0.48
PTK2 Q05397 3/20 0.48
RECQL P46063 3/20 0.48
MAPK14 Q16539 3/20 0.48
NTRK1 P04629 3/20 0.48
EGFR P00533 3/20 0.48
FGFR1 P11362 3/20 0.48
ESYT2 A0FGR8 2/20 0.48
NBAS A2RRP1 2/20 0.48
CNOT1 A5YKK6 2/20 0.48
TBKBP1 A7MCY6 2/20 0.48
AGPS O00116 2/20 0.48
MYO1F O00160 2/20 0.48
SNAP23 O00161 2/20 0.48
AP3B1 O00203 2/20 0.48
PSMD12 O00232 2/20 0.48

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
SCHEMBL22024587 0.92 KIF11 (0.45) KDREPHB4AURKAPDGFRBBRAF
SCHEMBL22025053 0.92 KDR (0.50) KDREPHB4AURKAPDGFRBBRAF
SCHEMBL22024647 0.88 EPHB4 (0.61) KDREPHB4PDGFRBEGFRABL1
SCHEMBL22024854 0.84 EPHB4 (0.60) KDREPHB4PDGFRBEGFRABL1
SCHEMBL22025049 0.83 ABCG2 (0.48) KDREGFRPHGDHLMNAMAPK1
SCHEMBL22065251 0.82 MEN1 (0.44) KDREPHB4RECQLLMNAMAPK1
SCHEMBL22025337 0.82 DDR1 (0.72) KDREPHB4AURKAPDGFRBBRAF
SCHEMBL22024562 0.80 KDR (0.48) KDREPHB4RECQLEGFRABL1
SCHEMBL22066416 0.79 PDE5A (0.49) EGFRLATS1ABL1LMNABCR
SCHEMBL22065373 0.78 PDE5A (0.46) LATS1LMNAMAPK1HSD17B10CLK4

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 KDR 148/4885EPHB4 4427/4885AURKA 642/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KDR 148/4885EPHB4 4427/4885AURKA 642/4885

“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.