SCHEMBL5788973

SCHEMBL5788973

Cc1cc(Cl)nc(C=Cc2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.57
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCND1 P24385 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
MAOB P27338 9/20 0.50
MAOA P21397 8/20 0.50
TLR4 O00206 2/20 0.49
TLR2 O60603 2/20 0.49
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 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
SCHEMBL5788968 1.00 LCK (0.57) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL5790802 0.86 LCK (0.57) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL5790798 0.86 LCK (0.57) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL5790633 0.81 RELA (0.53) MEN1KMT2A
SCHEMBL5790627 0.81 RELA (0.53) MEN1KMT2A
SCHEMBL5790848 0.81 LCK (0.51) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL5790854 0.81 LCK (0.51) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL9323561 0.79 LMNA (0.50) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL9323556 0.79 LMNA (0.50) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL4710833 0.78 LCK (0.63) LCKCCNB2CDK1CDK4CCNB1

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 6 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
CN-1473156-A Pyrimidine derivatives and their use as neuropeptide y receptor ligands - 2004-02-04 CN 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 LCK 969/4885CCNB2 2991/4885CDK1 2137/4885

“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.