SCHEMBL4845761

SCHEMBL4845761

CN1C(=O)SC(=Cc2cn(-c3ccccc3)nc2OCc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.56
CDC25B P30305 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPRC P08575 2/20 0.47
DUSP1 P28562 2/20 0.47
CDC25A P30304 2/20 0.47
PTPN7 P35236 2/20 0.47
DUSP3 P51452 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CGAS Q8N884 5/20 0.46
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL4845752 1.00 PTPN1 (0.56) PTPN1CDC25BMEN1KMT2AMAPK1
SCHEMBL4854035 0.80 MEN1 (0.60) PTPN1MEN1KMT2AALDH1A1
SCHEMBL4854031 0.80 MEN1 (0.60) PTPN1MEN1KMT2AALDH1A1
SCHEMBL716851 0.76 PTGS2 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3392792 0.75 CDC25B (0.52) PTPN1CDC25BMEN1KMT2ASMN1; SMN2
SCHEMBL4843689 0.75 PPARG (0.46) PTPN1CDC25BMEN1KMT2AMAPK1
SCHEMBL4843702 0.75 PPARG (0.46) PTPN1CDC25BMEN1KMT2AMAPK1
SCHEMBL3391174 0.73 CDC25B (0.63) PTPN1CDC25BMEN1KMT2AMAPK1
SCHEMBL3391181 0.73 CDC25B (0.63) PTPN1CDC25BMEN1KMT2AMAPK1
SCHEMBL3392581 0.72 CDC25B (0.81) PTPN1CDC25BMEN1KMT2ASMN1; SMN2

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PTPN1 1274/4885CDC25B 4355/4885MEN1 3268/4885

“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.