SCHEMBL21958545

SCHEMBL21958545

CC(=O)c1cn(O)c2ncsc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.37
CNOT7 Q9UIV1 1/20 0.36
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 2/20 0.31
BRD4 O60885 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21958552 0.84 CNOT7 (0.33) ALDH1A1CNOT7MAPTKMT2AHSD17B10
SCHEMBL20674230 0.83 ALDH1A1 (0.41) ALDH1A1KDM4ECNOT7TDP1MAPT
SCHEMBL20631038 0.80 KMT2A (0.40) ALDH1A1KDM4ETDP1MAPTCYP2C9
SCHEMBL20631054 0.74 CNOT7 (0.33) KDM4ECNOT7PKM
SCHEMBL21958535 0.70 CNOT7 (0.33) ALDH1A1KDM4ECNOT7PKM
SCHEMBL20631036 0.69 LMNA (0.36) KDM4EKMT2APKMHSD17B10
SCHEMBL21958543 0.67 CNOT7 (0.30) CNOT7
SCHEMBL20631043 0.67 DDB1 (0.32) CNOT7
SCHEMBL21958544 0.67 CNOT7 (0.30) CNOT7
SCHEMBL20631059 0.67 KDM4E (0.35) ALDH1A1KDM4ETDP1MAPTKMT2A

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-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 ALDH1A1 3098/4885KDM4E 1912/4885CNOT7 3623/4885

“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.