SCHEMBL26528477

SCHEMBL26528477

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.60
EGFR P00533 7/20 0.60
EML4 Q9HC35 6/20 0.60
INSR P06213 5/20 0.50
IGF1R P08069 4/20 0.50
MAP4K1 Q92918 8/20 0.49
ROS1 P08922 2/20 0.47
AURKA O14965 1/20 0.47
ERBB2 P04626 1/20 0.46
FER P16591 1/20 0.46
LTK P29376 1/20 0.46
BLK P51451 1/20 0.46
PTK2 Q05397 1/20 0.46
BTK Q06187 1/20 0.46
TNK2 Q07912 1/20 0.46
ERBB4 Q15303 1/20 0.46
SLK Q9H2G2 1/20 0.46

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
SCHEMBL24179401 0.88 ALK (0.63) ALKEGFREML4INSRIGF1R
SCHEMBL24178918 0.88 EGFR (0.50) ALKEGFREML4INSRIGF1R
SCHEMBL26473441 0.85 EGFR (0.50) ALKEGFREML4INSRIGF1R
SCHEMBL26528462 0.85 ALK (0.56) ALKINSRIGF1RMAP4K1
SCHEMBL15600965 0.84 ALK (0.62) ALKEGFREML4INSRIGF1R
SCHEMBL13832329 0.84 ALK (0.62) ALKEGFREML4INSRIGF1R
SCHEMBL15600979 0.84 ALK (0.61) ALKEGFREML4INSRIGF1R
SCHEMBL24178967 0.84 EGFR (0.84) ALKEGFREML4INSRIGF1R
SCHEMBL17792771 0.82 EGFR (0.53) ALKEGFREML4INSRIGF1R
SCHEMBL26528471 0.80 ALK (0.64) ALKEGFREML4INSRIGF1R

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-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 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 (1 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-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF ALK, EGFR, ROS1 ALK 1/4885EGFR 2/4885EML4 1934/4885

“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.