Sugi Predict

Sugi Predict / Compounds / SCHEMBL5787976

SCHEMBL5787976

SCHEMBL5787976

Cc1cc(N2CC(C)C2)nc(/C=C/c2cccc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.47
▸ PDE10A Q9Y233 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHAT P28329 1/20 0.38
▸ RELA Q04206 1/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
SCHEMBL5787981 1.00 HRH4 (0.47) HRH4PDE10AMAPTSMN1; SMN2CHAT
SCHEMBL5787760 0.85 PDE10A (0.56) HRH4PDE10AMAPTSMN1; SMN2CHAT
SCHEMBL5786942 0.85 PDE10A (0.56) HRH4PDE10AMAPTSMN1; SMN2CHAT
SCHEMBL5786675 0.83 HRH4 (0.49) HRH4PDE10AALDH1A1KDM4ELMNA
SCHEMBL5786671 0.83 HRH4 (0.49) HRH4PDE10AALDH1A1KDM4ELMNA
SCHEMBL5785998 0.76 CHAT (0.47) HRH4SMN1; SMN2CHATRELAADORA2A
SCHEMBL5785995 0.76 CHAT (0.47) HRH4SMN1; SMN2CHATRELAADORA2A
SCHEMBL5789872 0.74 HRH4 (0.45) HRH4MAPTSMN1; SMN2CHATRELA
SCHEMBL5789877 0.74 HRH4 (0.45) HRH4MAPTSMN1; SMN2CHATRELA
SCHEMBL5789423 0.72 HRH4 (0.42) HRH4PDE10AMAPTSMN1; SMN2CHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 — — US claimed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 — — US claimed
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 HRH4 410/4885PDE10A 2005/4885MAPT 3810/4885

“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.