SCHEMBL24072109

SCHEMBL24072109

CN(c1c(Nc2nc(Nc3ccncc3)ncc2Br)ccc2nccnc12)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.48
▸ CDK2 P24941 8/20 0.48
▸ KDR P35968 5/20 0.48
▸ IGF1R P08069 2/20 0.43
▸ PTK2 Q05397 4/20 0.42
▸ EGFR P00533 2/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL26379077 0.88 CDK1 (0.46) CDK1CDK2KDRIGF1RPTK2
SCHEMBL26379095 0.87 ALK (0.58) CDK1CDK2KDREGFRALK
SCHEMBL26379025 0.86 EGFR (0.51) CDK1CDK2KDRIGF1RPTK2
SCHEMBL26378981 0.85 EGFR (0.63) IGF1RPTK2EGFRALK
SCHEMBL26379018 0.85 CDK1 (0.47) CDK1CDK2KDRIGF1RPTK2
SCHEMBL26380082 0.84 ALK (0.45) CDK1CDK2KDREGFRALK
SCHEMBL26380087 0.84 ALK (0.45) CDK1CDK2KDRPTK2EGFR
SCHEMBL26379116 0.84 CDK7 (0.47) CDK1CDK2KDRPTK2EGFR
SCHEMBL26379105 0.83 EGFR (0.38) CDK1CDK2KDRPTK2EGFR
SCHEMBL26379110 0.83 EGFR (0.44) CDK1CDK2KDRIGF1RPTK2

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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 — — WO 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 CDK1 130/4885CDK2 96/4885KDR 107/4885

“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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