SCHEMBL4141579

SCHEMBL4141579

N#CCc1ccc2c(c1)OCCC2N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAP3K14 Q99558 1/20 0.35
CD274 Q9NZQ7 2/20 0.34
PDCD1 Q15116 1/20 0.34
ENPP2 Q13822 1/20 0.33
MMP3 P08254 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
FFAR1 O14842 2/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL13926406 1.00 KIF11 (0.36) KIF11KDM4ETDP1MAP3K14CD274
SCHEMBL3570792 0.80 MAP3K14 (0.41) MAP3K14CD274PDCD1
SCHEMBL3570796 0.80 MAP3K14 (0.41) MAP3K14CD274PDCD1
SCHEMBL4138299 0.78 LRRK2 (0.42) MAP3K14DRD2DRD3
SCHEMBL26962417 0.78 LRRK2 (0.42) MAP3K14DRD2DRD3
SCHEMBL31715704 0.78 LRRK2 (0.42) MAP3K14DRD2DRD3
SCHEMBL5394460 0.78 LRRK2 (0.42) MAP3K14DRD2DRD3
Hydrochloric Acid SCHEMBL26962592 0.77 LRRK2 (0.42) MAP3K14DRD2DRD3
SCHEMBL10586841 0.75 LTB4R (0.50) KDM4ETDP1MAP3K14
SCHEMBL4148884 0.75 CYP3A4 (0.41) MAOB

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
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (2 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 KIF11 4783/4885KDM4E 2759/4885TDP1 1459/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 KIF11 4783/4885KDM4E 2759/4885TDP1 1459/4885

“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.