SCHEMBL5061808

SCHEMBL5061808

Fc1cccc(N2CC(c3ccccc3)C=N2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FADS1 O60427 1/20 0.37
BPTF Q12830 1/20 0.37
PRKCZ Q05513 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KEAP1 Q14145 1/20 0.36
ALOX5 P09917 1/20 0.35
RIPK1 Q13546 1/20 0.35
NPC1 O15118 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL14275214 0.84 MAPT (0.34) GFERMAPTBPTFRIPK1NPC1
SCHEMBL31207785 0.74 HTR6 (0.38) NPC1
SCHEMBL3816947 0.74 KDM1A (0.39) LMNAMAPTPRKCZNPC1
SCHEMBL5062846 0.69 MAPT (0.44) GFERLMNAMAPTMAOAMAOB
SCHEMBL14275236 0.68 SLC6A2 (0.40) GFERLMNAMAPTMAOAMAOB
SCHEMBL5057748 0.67 KIF11 (0.43) GFERLMNAMAPTMAOAMAOB
SCHEMBL10287802 0.65 ALDH1A1 (0.38) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL6570376 0.65 KCNQ2 (0.50) GFERBPTFNPC1
SCHEMBL7991481 0.64 MAPT (0.45) GFERLMNAMAPT
SCHEMBL11095289 0.64 PRKCZ (0.52) GFERLMNAMAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045492-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-20080045492-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-20080045492-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
EP-1831176-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-09-12 EP disclosed
EP-1786809-A2 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONISTS Sanofi-Aventis (FR) 2007-05-23 EP disclosed
WO-2006068933-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-06-29 WO disclosed
WO-2006021656-A2 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2006-03-02 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-20080045492-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF23 GFER 4746/4885LMNA 3156/4885MAPT 214/4885

“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.