SCHEMBL22024562

SCHEMBL22024562

COc1ccc(Br)cc1NC(=O)Nc1cccc(-c2nc(Nc3cccnc3)c3c(ccn3C)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
EPHB4 P54760 3/20 0.48
TEK Q02763 1/20 0.48
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
AHR P35869 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL22025339 0.92 EPHB4 (0.52) KDREPHB4TEKMAPTTP53
SCHEMBL22025050 0.91 KDM4E (0.46) KDREPHB4TEKMAPTCYP1A2
SCHEMBL22065251 0.90 MEN1 (0.44) KDREPHB4TEKMAPTTP53
SCHEMBL22025058 0.89 EPHB4 (0.55) KDREPHB4TEKMAPTTP53
SCHEMBL22024592 0.85 EPHB4 (0.64) KDREPHB4TEKMAPTTP53
SCHEMBL22025051 0.83 KDR (0.43) KDREPHB4TEKMAPTTP53
SCHEMBL22025329 0.81 EPHB4 (0.45) KDREPHB4TEKMAPTCYP1A2
SCHEMBL22025047 0.80 KDR (0.49) KDREPHB4TEKMAPTTP53
SCHEMBL22066416 0.75 PDE5A (0.49) MAPTCYP1A2CYP3A4LMNAABCG2
SCHEMBL22065373 0.74 PDE5A (0.46) MAPTCYP1A2CYP3A4LMNAABCG2

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 4427/4885TEK 513/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KDR 148/4885EPHB4 4427/4885TEK 513/4885

“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.