SCHEMBL5790946

SCHEMBL5790946

Cc1cc(Cl)nc(C=Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
CHAT P28329 1/20 0.45
PYGL P06737 7/20 0.40
ALDH1A1 P00352 2/20 0.39
MAOB P27338 2/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL5790941 1.00 HRH4 (0.46) HRH4CHATPYGLALDH1A1MAOB
SCHEMBL5786651 0.86 NFE2L2 (0.39) HRH4CHATALDH1A1MAOBLMNA
SCHEMBL5786647 0.86 NFE2L2 (0.39) HRH4CHATALDH1A1MAOBLMNA
SCHEMBL5787273 0.84 HRH4 (0.44) HRH4CHATPYGLALDH1A1KDM4A
SCHEMBL5787278 0.84 HRH4 (0.44) HRH4CHATPYGLALDH1A1KDM4A
SCHEMBL5787790 0.81 NFE2L2 (0.51)
SCHEMBL5787784 0.81 NFE2L2 (0.51)
SCHEMBL9323561 0.80 LMNA (0.50) ALDH1A1LMNAMAPTKDM4EPTGS2
SCHEMBL9323556 0.80 LMNA (0.50) ALDH1A1LMNAMAPTKDM4EPTGS2
SCHEMBL5785995 0.79 CHAT (0.47) HRH4CHATALDH1A1MAOBLMNA

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 HRH4 410/4885CHAT 4097/4885PYGL 732/4885

“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.