SCHEMBL4766812

SCHEMBL4766812

c1nnc(-c2nncs2)o1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.42
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL12906161 0.72 NOTUM (0.59) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL15173885 0.71 HPGDS (0.33)
SCHEMBL570272 0.71 NOTUM (0.39) NOTUMTSHR
SCHEMBL13801151 0.70 NOTUM (0.42) NOTUMTSHRMAPTTLR8ALDH1A1
SCHEMBL21547878 0.68 NOTUM (0.43) NOTUMTSHRMAPTKDM4EALDH1A1
SCHEMBL15174349 0.67 PTK2 (0.39) NOTUMLMNA
SCHEMBL4766811 0.67 FBP1 (0.31)
SCHEMBL21539002 0.65 NOTUM (0.44) NOTUMTSHRMAPTKDM4EALDH1A1
SCHEMBL21366093 0.65 NOTUM (0.40) NOTUMTSHRMAPTKDM4EALDH1A1
SCHEMBL25144924 0.64 NOTUM (0.43) NOTUMTSHRMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711474-A1 5-PHENYPYRIDINES AND THEIR USE AS MICROBICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-10-18 EP claimed
WO-2005070899-A1 5-PHENYLPYRIMIDINES AND THEIR USE AS MICROBICIDES BAYER CROPSCIENCE AG (DE) 2005-08-04 WO claimed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US claimed
EP-3239139-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE NINGBO COMBIREG PHARMACEUTICAL TECH CO LTD (CN) 2020-10-28 EP disclosed
EP-3239139-A1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE Shenzhen Salubris Pharmaceuticals Co., Ltd (CN) 2017-11-01 EP disclosed
EP-2612857-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE SHENZHEN SALUBRIS PHARM CO LTD (CN) 2017-07-26 EP disclosed
EP-1927594-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia Arena Pharmaceuticals, Inc. (US) 2008-06-04 EP disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 US disclosed
CN-1211253-A Heterocyclyl-ergoline derivatives as 5-HT1A receptor ligands PHARMACIA & UPJOHN SPA (IT) 1999-03-17 CN disclosed
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US 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-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 NOTUM 194/4885TSHR 1274/4885MAPT 4217/4885

“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.