SCHEMBL21958537

SCHEMBL21958537

NC(=O)c1nn(O)c2ncsc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.38
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CNOT7 Q9UIV1 1/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PABPC1 P11940 1/20 0.30
PDE2A O00408 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL21958535 0.82 CNOT7 (0.33) ALDH1A1CNOT7KDM4E
SCHEMBL21959651 0.74 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL21958552 0.71 CNOT7 (0.33) MAP3K14ALDH1A1CNOT7MEN1KMT2A
SCHEMBL18546479 0.71 ALDH1A1 (0.36) MAP3K14ALDH1A1LMNAKDM4E
SCHEMBL18546420 0.69 PDE8B (0.45) ALDH1A1MEN1KMT2A
SCHEMBL29696414 0.67 ALDH1A1 (0.33) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL21958539 0.66 CNOT7 (0.31) CNOT7
SCHEMBL3114383 0.65 KDM4E (0.42) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL26684203 0.65
SCHEMBL21958541 0.64 ADORA2A (0.40) ALDH1A1LMNAMEN1KMT2APABPC1

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 MAP3K14 94/4885ALDH1A1 3098/4885LMNA 4496/4885

“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.