SCHEMBL21958542

SCHEMBL21958542

CNC(=O)c1nn(O)c2ncoc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
PTGIR P43119 1/20 0.32
BRD4 O60885 1/20 0.31
NAMPT P43490 1/20 0.31
PIN1 Q13526 1/20 0.31
YTHDC1 Q96MU7 1/20 0.30
GSK3B P49841 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
SCHEMBL21958622 0.81
SCHEMBL21958541 0.78 ADORA2A (0.40) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL21959652 0.76 KDM4E (0.33) ADORA3ADORA2AADORA2BADORA1TP53
SCHEMBL1095393 0.72 NPC1 (0.57) KDM4ENPC1RAB9ABAZ2BPTGIR
SCHEMBL23937785 0.70
SCHEMBL23937779 0.68 CNOT7 (0.34) TP53SMN1; SMN2BAZ2BYTHDC1
SCHEMBL20631055 0.67 GSK3B (0.32) ADORA3ADORA2AADORA2BADORA1BRD4
SCHEMBL20674562 0.67 KMT2A (0.37) KDM4E
SCHEMBL23937842 0.64 BAZ2B (0.32) TP53SMN1; SMN2NPC1RAB9ABAZ2B
SCHEMBL23937787 0.62 NOTUM (0.32)

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 ADORA3 3652/4885ADORA2A 4797/4885ADORA2B 4772/4885

“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.