SCHEMBL22507906

SCHEMBL22507906

C=CCNc1cc(Nc2ncc(Cl)c(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.54
ALK Q9UM73 7/20 0.54
EML4 Q9HC35 6/20 0.54
ERBB2 P04626 1/20 0.54
INSR P06213 1/20 0.54
ROS1 P08922 1/20 0.54
FER P16591 1/20 0.54
LTK P29376 1/20 0.54
BLK P51451 1/20 0.54
PTK2 Q05397 1/20 0.54
BTK Q06187 1/20 0.54
TNK2 Q07912 1/20 0.54
ERBB4 Q15303 1/20 0.54
SLK Q9H2G2 1/20 0.54
IGF1R P08069 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL30817927 0.89 EGFR (0.68) EGFRALKEML4ERBB2INSR
SCHEMBL21232003 0.89 EGFR (0.68) EGFRALKEML4ERBB2INSR
SCHEMBL21232021 0.88 EGFR (0.49) EGFRALKEML4ERBB2INSR
SCHEMBL23761748 0.86 EGFR (0.52) EGFRALKEML4ERBB2INSR
SCHEMBL21232038 0.85 EGFR (0.62) EGFRALKEML4ERBB2INSR
SCHEMBL30617213 0.85 EGFR (0.62) EGFRALKEML4ERBB2INSR
SCHEMBL22507892 0.84 EGFR (0.45) EGFRALKEML4ERBB2INSR
SCHEMBL22507847 0.82 EGFR (0.52) EGFRALKEML4
SCHEMBL21232448 0.82 EGFR (0.59) EGFRALKEML4ERBB2INSR
SCHEMBL30775464 0.82 EGFR (0.59) EGFRALKEML4ERBB2INSR

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-11007198-B2 ErbB/BTK inhibitors DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-05-18 US disclosed
US-20200316079-A1 ERBB/BTK INHIBITORS DIZAL (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2020-10-08 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 (2 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-11007198-B2 ErbB/BTK inhibitors ERBB2, BTK, ERBB3 EGFR 5/4885ALK 130/4885EML4 1763/4885
US-20200316079-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 EGFR 5/4885ALK 130/4885EML4 1763/4885

“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.