SCHEMBL20980285

SCHEMBL20980285

CSc1ncc(N=O)c(CC#N)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.31
POLB P06746 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
SCHEMBL25226991 0.73 AURKA (0.34) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL20980282 0.72 MEN1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL13326638 0.71 SYK (0.44) KDM4E
SCHEMBL26341326 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL20980240 0.68 KMT2A (0.39) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL8397028 0.66 KMT2A (0.42) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL8402430 0.65 CLK1 (0.38) POLB
SCHEMBL27755208 0.64 POLB (0.42) MEN1KMT2AALDH1A1POLB
SCHEMBL7113348 0.63 KMT2A (0.41) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL1884340 0.62 PARP1 (0.40) MEN1KMT2AALDH1A1GAAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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 (3 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD MEN1 1959/4885KMT2A 1422/4885ALDH1A1 1403/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD MEN1 1959/4885KMT2A 1422/4885ALDH1A1 1403/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA MEN1 2417/4885KMT2A 1381/4885ALDH1A1 574/4885

“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.