SCHEMBL1506315

SCHEMBL1506315

CC1(C)OB(c2cccc(-n3cccn3)n2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7961801 0.79 IRAK4 (0.38) IRAK4
SCHEMBL16573624 0.77 KDM4E (0.39) KDM4EALDH1A1IRAK4NPC1ADORA2A
SCHEMBL7960539 0.76 CYP3A4 (0.39) KDM4EALDH1A1IRAK4MAPK1KMT2A
SCHEMBL26638361 0.75 NPC1 (0.35) KDM4EALDH1A1NPC1MAPK1KMT2A
SCHEMBL23797273 0.74 IRAK4 (0.43) KDM4EALDH1A1IRAK4ADORA2AADORA1
SCHEMBL199306 0.74 ALDH1A1 (0.65) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL12616248 0.74 PDE10A (0.39) KDM4EIRAK4
SCHEMBL860013 0.73 LMNA (0.46) KDM4EALDH1A1IRAK4KMT2ALMNA
SCHEMBL14804505 0.73 GRM5 (0.41) KDM4EALDH1A1IRAK4NPC1ADORA2A
SCHEMBL15254605 0.72 HRH4 (0.36) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 KDM4E 2925/4885ALDH1A1 1208/4885IRAK4 2462/4885

“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.