SCHEMBL23260553

SCHEMBL23260553

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C3CC3)cc2P(C)(C)=O)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.73
▸ INSR P06213 3/20 0.69
▸ IGF1R P08069 3/20 0.69
▸ ALK Q9UM73 3/20 0.69
▸ CHEK1 O14757 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ CCNT1 O60563 1/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ RET P07949 1/20 0.59
▸ MET P08581 1/20 0.59
▸ ROS1 P08922 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ KIT P10721 1/20 0.59
▸ PIM1 P11309 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ FER P16591 1/20 0.59
▸ EPHA1 P21709 1/20 0.59
▸ MAPK3 P27361 1/20 0.59
▸ EPHB2 P29323 1/20 0.59
▸ AXL P30530 1/20 0.59

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
SCHEMBL24179305 0.92 EGFR (0.78) EGFRINSRIGF1RALK
SCHEMBL30216884 0.92 EGFR (0.78) EGFRINSRIGF1RALK
SCHEMBL23259839 0.92 EGFR (0.74) EGFRINSRIGF1RALK
Water SCHEMBL28998104 0.92 EGFR (0.77) EGFRINSRIGF1RALK
SCHEMBL24179086 0.91 EGFR (0.74) EGFRINSRIGF1RALKCHEK1
SCHEMBL24179101 0.91 INSR (0.74) EGFRINSRIGF1RALKCHEK1
SCHEMBL25450100 0.90 EGFR (0.72) EGFRINSRIGF1RALKCHEK1
SCHEMBL24179046 0.89 EGFR (0.74) EGFRINSRIGF1RALKCHEK1
SCHEMBL26462505 0.89 EGFR (0.70) EGFRINSRIGF1RALKCHEK1
SCHEMBL23259961 0.88 EGFR (0.60) EGFRINSRIGF1RALKCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 — — US claimed
CN-114430741-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-03 — — CN claimed
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 — — US disclosed
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 — — US disclosed
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 — — US disclosed
CN-114430741-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-03 — — CN disclosed
WO-2021073498-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF 贝达药业股份有限公司 2021-04-22 — — 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-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885INSR 162/4885IGF1R 26/4885

“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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