SCHEMBL26379402

SCHEMBL26379402

COc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2N(C)S(C)(=O)=O)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.59
▸ MET P08581 2/20 0.59
▸ ALK Q9UM73 14/20 0.59
▸ ROS1 P08922 6/20 0.59
▸ INSR P06213 7/20 0.54
▸ IGF1R P08069 6/20 0.54
▸ PTK2 Q05397 2/20 0.51
▸ BMPR1B O00238 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ STK25 O00506 1/20 0.50
▸ RIOK3 O14730 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ CASK O14936 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ GAK O14976 1/20 0.50
▸ DCLK1 O15075 1/20 0.50
▸ MUSK O15146 1/20 0.50
▸ EPHB6 O15197 1/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ MAP3K13 O43283 1/20 0.50

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
SCHEMBL26379664 0.92 ALK (0.57) EGFRMETALKROS1INSR
SCHEMBL26378824 0.92 EGFR (0.57) EGFRMETALKROS1
SCHEMBL26379430 0.92 EGFR (0.49) EGFRMETALKROS1INSR
SCHEMBL26379617 0.92 ALK (0.57) EGFRMETALKROS1INSR
SCHEMBL26379524 0.90 EGFR (0.51) EGFRMETALKROS1INSR
SCHEMBL24074296 0.90 EGFR (0.58) EGFRMETALKROS1INSR
SCHEMBL29904627 0.89 ALK (0.64) EGFRMETALKROS1INSR
SCHEMBL26907011 0.89 ALK (0.64) EGFRMETALKROS1INSR
SCHEMBL24073476 0.89 EGFR (0.76) EGFRMETALKROS1INSR
SCHEMBL26378906 0.89 EGFR (0.57) EGFRMETALKROS1INSR

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 1/4885MET 9/4885ALK 58/4885

“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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