SCHEMBL5789179

SCHEMBL5789179

CSc1ccc(C=Cc2nc(C)cc(O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A1 P04798 7/20 0.43
CYP1A2 P05177 7/20 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
SCHEMBL5789176 1.00 CASP3 (0.46) CASP3SENP8SENP7SENP6POLB
SCHEMBL8101255 0.84 APP (0.46) POLBMEN1MAPTRAB9AKMT2A
SCHEMBL8101251 0.84 APP (0.46) POLBMEN1MAPTRAB9AKMT2A
SCHEMBL5789866 0.82 CYP1A1 (0.45) CASP3SENP8SENP7SENP6POLB
SCHEMBL5787406 0.82 CYP1A1 (0.45) CASP3SENP8SENP7SENP6POLB
SCHEMBL4713012 0.81 GRM4 (0.49) CASP3SENP8SENP7SENP6POLB
SCHEMBL4713014 0.81 GRM4 (0.49) CASP3SENP8SENP7SENP6POLB
SCHEMBL5788387 0.79 PTGS2 (0.54) CASP3SENP8SENP7SENP6MEN1
SCHEMBL5788380 0.79 PTGS2 (0.54) CASP3SENP8SENP7SENP6MEN1
SCHEMBL5786303 0.79 APP (0.53) CASP3SENP8SENP7SENP6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335906-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 US disclosed
EP-1335906-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2003-08-20 EP disclosed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 US disclosed
WO-2002038551-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2002-05-16 WO 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-20020086858-A1 Pyrimidine derivatives NPY1R, NPY5R, NPY4R CASP3 2844/4885SENP8 3621/4885SENP7 4284/4885

“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.