SCHEMBL20980282

SCHEMBL20980282

CSc1ncc(N=O)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
AHR P35869 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
NTRK1 P04629 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL15177936 0.75 MAPT (0.36) LMNAALDH1A1
SCHEMBL31591033 0.73 ALDH1A1 (0.45) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL12051523 0.73 ALDH1A1 (0.45) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL12828802 0.72
SCHEMBL20980285 0.72 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL10811677 0.71 AHR (0.43) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL13573561 0.71 AHR (0.40) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL18712760 0.69 AHR (0.39) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL8264435 0.69 MEN1 (0.55) MEN1KMT2AAHRNPC1RAB9A
SCHEMBL6473545 0.69 HSP90AB1 (0.39) MEN1KMT2AAHRNPC1RAB9A

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 1422/4885AHR 2396/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD MEN1 1959/4885KMT2A 1422/4885AHR 2396/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA MEN1 2417/4885KMT2A 1381/4885AHR 2186/4885

“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.