SCHEMBL26397144

SCHEMBL26397144

COC1CCN(c2cccc(CNc3ncc(Br)c(Nc4ccc5nccnc5c4N(C)SC)n3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.43
▸ EGFR P00533 15/20 0.43
▸ IGF1R P08069 2/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL26397057 0.89 EGFR (0.47) JAK3EGFRIGF1RNTRK1
SCHEMBL26397198 0.88 EGFR (0.47) EGFRIGF1RPLK1ALK
SCHEMBL26384067 0.78 EGFR (0.59) JAK3EGFRNTRK1
SCHEMBL26397329 0.78 NTRK1 (0.48) JAK3EGFRIGF1RNTRK1
SCHEMBL26395755 0.78 ALK (0.57) EGFRIGF1RPLK1ALK
SCHEMBL26397089 0.78 EGFR (0.47) JAK3EGFRIGF1RPLK1ALK
SCHEMBL26384092 0.78 EGFR (0.53) EGFRIGF1RPLK1ALK
SCHEMBL26401884 0.78 EGFR (0.48) EGFRIGF1RPLK1ALK
SCHEMBL26395787 0.76 ULK1 (0.64) EGFRIGF1RPLK1ALK
SCHEMBL26384063 0.75 CDK7 (0.43) EGFRIGF1R

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 JAK3 115/4885EGFR 1/4885IGF1R 73/4885

“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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