SCHEMBL2133209

SCHEMBL2133209

CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c(-c2cncc(-c3n[nH]c(=O)o3)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
RAF1 P04049 1/20 0.36
ABL1 P00519 1/20 0.35
MAPK1 P28482 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
SCHEMBL1506064 0.95 FGFR1 (0.36)
SCHEMBL3433493 0.92 MAPK1 (0.37) ABL1MAPK1
SCHEMBL10279342 0.90 PIK3R1 (0.36) PIK3R1PIK3CA
SCHEMBL2135000 0.89 GSK3B (0.40) PIK3R1PIK3CARAF1ABL1MAPK1
SCHEMBL1506029 0.88 MAPK1 (0.37) MAPK1
SCHEMBL3431796 0.87 FGFR1 (0.36)
SCHEMBL1505544 0.86 RAF1 (0.40) PIK3R1PIK3CARAF1
SCHEMBL3516140 0.86
SCHEMBL2136689 0.85
SCHEMBL1505422 0.85 RAF1 (0.42) PIK3R1PIK3CARAF1ABL1

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 PIK3R1 4393/4885PIK3CA 3393/4885RAF1 2888/4885

“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.