SCHEMBL5788959

SCHEMBL5788959

Cc1cc(Cl)nc(C=Cc2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.42
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL5788957 1.00 AHR (0.42) AHRMAPTALDH1A1CYP1A2MAPK1
SCHEMBL5785995 0.83 CHAT (0.47) AHRALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL5785998 0.83 CHAT (0.47) AHRALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL5789234 0.83 AHR (0.40) AHRMAPTALDH1A1CYP1A2MAPK1
SCHEMBL5789231 0.83 AHR (0.40) AHRMAPTALDH1A1CYP1A2MAPK1
SCHEMBL9323556 0.81 LMNA (0.50) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL9323561 0.81 LMNA (0.50) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL5787790 0.79 NFE2L2 (0.51)
SCHEMBL5787784 0.79 NFE2L2 (0.51)
SCHEMBL5790946 0.78 HRH4 (0.46) MAPTALDH1A1CYP1A2MAPK1HSD17B10

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 AHR 1203/4885MAPT 3810/4885ALDH1A1 4142/4885

“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.