SCHEMBL26401884

SCHEMBL26401884

COc1ccc(N2CCNCC2)cc1CNc1ncc(Br)c(Nc2ccc3nccnc3c2N(C)SC)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.48
▸ ALK Q9UM73 6/20 0.47
▸ BRD4 O60885 1/20 0.45
▸ ULK1 O75385 2/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ PLK1 P53350 1/20 0.40

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
SCHEMBL26397089 0.92 EGFR (0.47) EGFRALKULK1IGF1RPLK1
SCHEMBL26397198 0.90 EGFR (0.47) EGFRALKULK1IGF1RPLK1
SCHEMBL26397273 0.87 EGFR (0.57) EGFRALKIGF1RPLK1
SCHEMBL26384074 0.82 EGFR (0.52) EGFRALKULK1IGF1RPLK1
SCHEMBL26397384 0.82 EGFR (0.46) EGFRALK
SCHEMBL26402229 0.81 PLK1 (0.42) EGFRALKBRD4IGF1RPLK1
SCHEMBL26384215 0.81 EGFR (0.47) EGFR
SCHEMBL26395787 0.80 ULK1 (0.64) EGFRALKULK1IGF1RPLK1
SCHEMBL26395755 0.80 ALK (0.57) EGFRALKULK1IGF1RPLK1
SCHEMBL26379978 0.79 EGFR (0.57) EGFRALKBRD4ULK1IGF1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885ALK 58/4885BRD4 3512/4885

“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.

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