SCHEMBL20980332

SCHEMBL20980332

CSc1ncc(C=O)c(NP)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33
NTRK1 P04629 1/20 0.33
SYK P43405 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
AHR P35869 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1521592 0.84 LMNA (0.40) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL13344758 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL5067063 0.80 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL1521840 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL10811677 0.78 AHR (0.43) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL23142064 0.78 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL3535605 0.78 MERTK (0.48) MEN1KMT2ASYKMERTK
SCHEMBL23142066 0.78 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4ENTRK1
SCHEMBL16120607 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ESYKCA1CA2
SCHEMBL23142051 0.76 NUDT1 (0.40) MEN1KMT2AALDH1A1SYKCA1

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.