SCHEMBL20326366

SCHEMBL20326366

C=C(CN(C)C)C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.44
PAX8 Q06710 1/20 0.38
ABL1 P00519 2/20 0.33
TDP1 Q9NUW8 3/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20334431 0.81 CES2 (0.48) EGFRPAX8ABL1FFAR3ALDH1A1
SCHEMBL2282136 0.76 EGFR (0.46) EGFRPAX8ABL1HSD17B10FFAR3
SCHEMBL8892110 0.76 TDP1 (0.35) EGFRTDP1FFAR3ALDH1A1
SCHEMBL9517162 0.75
SCHEMBL15010306 0.75 EGFR (0.44) EGFRPAX8ABL1
SCHEMBL23735948 0.75 CA12 (0.37) TDP1
SCHEMBL17773344 0.75 EGFR (0.40) EGFRPAX8ABL1
SCHEMBL164434 0.74
SCHEMBL25144748 0.74
Hydrochloric Acid SCHEMBL20699298 0.72 EGFR (0.53) EGFRPAX8ABL1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-21 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (3 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-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA EGFR 2973/4885PAX8 1105/4885ABL1 534/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS EGFR 142/4885PAX8 1282/4885ABL1 391/4885
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 EGFR 864/4885PAX8 4264/4885ABL1 97/4885

“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.