SCHEMBL21958567

SCHEMBL21958567

CCc1cc2ocnc2nn1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL14437980 0.74
SCHEMBL13486512 0.71 HTR3A (0.36) MEN1ALDH1A1GAAKMT2A
SCHEMBL22693060 0.70 NOS3 (0.35)
SCHEMBL20631781 0.69
SCHEMBL20631795 0.69 LMNA (0.38) MEN1ALDH1A1GAAKMT2A
SCHEMBL19337377 0.69 PARP1 (0.30) MEN1ALDH1A1GAAKMT2A
SCHEMBL13612342 0.68 PSMB5 (0.36) MEN1KMT2A
SCHEMBL21959622 0.68 NOS3 (0.32)
SCHEMBL18238951 0.65 MEN1 (0.37) MEN1ALDH1A1GAAKMT2A
SCHEMBL17265838 0.65 DYRK1A (0.34)

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 MEN1 3396/4885ALDH1A1 3098/4885GAA 1620/4885

“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.