SCHEMBL21097289

SCHEMBL21097289

COc1cc(OCCN2CCOCC2)c(C=CC(=O)NC=O)cc1Nc1nccc(Nc2ccc(OCc3ccccc3)c(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.47
ERBB2 P04626 8/20 0.47
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
JAK3 P52333 3/20 0.41
BTK Q06187 3/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDR P35968 2/20 0.40
EPHA2 P29317 1/20 0.40
EPHB4 P54760 1/20 0.40
EPHX2 P34913 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
SCHEMBL19089364 0.86 EGFR (0.52) EGFRERBB2ABL1BCRJAK3
SCHEMBL19089296 0.79 EGFR (0.53) EGFRJAK3BTK
SCHEMBL19089585 0.77 EGFR (0.56) EGFRERBB2KDREPHA2EPHB4
SCHEMBL19089584 0.77 EGFR (0.52) EGFRERBB2KDREPHA2EPHB4
SCHEMBL6484196 0.69 JAK3 (0.65) EGFRERBB2ABL1BCRJAK3
SCHEMBL21980696 0.68 EGFR (0.48) EGFRERBB2JAK3BTKKDR
SCHEMBL30213748 0.68 EGFR (0.62) EGFRERBB2
SCHEMBL30213663 0.68 EGFR (0.61) EGFRERBB2
SCHEMBL19089368 0.67 EGFR (0.61) EGFR
SCHEMBL20548844 0.66 EGFR (0.60) EGFR

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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 EGFR 1/4885ERBB2 4/4885ABL1 2/4885

“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.