SCHEMBL21958535

SCHEMBL21958535

CC(=O)c1nn(O)c2ncsc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL21958537 0.82 MAP3K14 (0.38) CNOT7ALDH1A1KDM4E
SCHEMBL21959650 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EPKM
SCHEMBL21958550 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21958545 0.70 ALDH1A1 (0.41) CNOT7ALDH1A1KDM4EPKM
SCHEMBL20674230 0.67 ALDH1A1 (0.41) CNOT7ALDH1A1KDM4EPKM
SCHEMBL21958539 0.66 CNOT7 (0.31) CNOT7
SCHEMBL20631038 0.65 KMT2A (0.40) ALDH1A1KDM4EPKM
SCHEMBL10856198 0.65
SCHEMBL21958622 0.64
SCHEMBL21959647 0.63 ALDH1A1 (0.35) ALDH1A1

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 CNOT7 3623/4885ALDH1A1 3098/4885KDM4E 1912/4885

“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.