SCHEMBL3434637

SCHEMBL3434637

CCNC(=O)Nc1cc(N2CC(C)OC(C)C2)c(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
S1PR2 O95136 1/20 0.44
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.40
GSK3B P49841 1/20 0.40
MTOR P42345 1/20 0.39

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
SCHEMBL3433622 1.00 POLB (0.44) POLBS1PR2MAPK1MAPTGSK3B
SCHEMBL27836045 0.79 MAPK1 (0.45) MAPK1
SCHEMBL3432103 0.77 WNT3A (0.44) MAPTGSK3BMTOR
SCHEMBL3433484 0.77 WNT3A (0.44) MAPTGSK3BMTOR
SCHEMBL3433014 0.77 MAPT (0.39) S1PR2MAPTGSK3B
SCHEMBL3433018 0.77 MAPT (0.39) S1PR2MAPTGSK3B
SCHEMBL1505599 0.77 MAPK1 (0.40) MAPK1
SCHEMBL3433611 0.76 S1PR2 (0.42) S1PR2
SCHEMBL3434991 0.76 S1PR2 (0.42) S1PR2
SCHEMBL12832602 0.75 MAPK1 (0.40) MAPK1

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
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
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 POLB 655/4885S1PR2 4080/4885MAPK1 2843/4885

“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.