SCHEMBL1505441

SCHEMBL1505441

CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
MAPK1 P28482 1/20 0.41
ABL1 P00519 2/20 0.40
EPHX2 P34913 4/20 0.40
PDE4B Q07343 1/20 0.39
TSHR P16473 2/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL1505716 0.92 FGFR1 (0.42) TSHR
SCHEMBL12832824 0.91 MAPK1 (0.41) RAF1MAPK1ABL1EPHX2PDE4B
SCHEMBL2132162 0.87 MAPK1 (0.39) RAF1MAPK1ABL1EPHX2PIK3R1
SCHEMBL1505544 0.85 RAF1 (0.40) RAF1EPHX2PIK3R1PIK3CA
SCHEMBL2132408 0.85 ABL1 (0.38) ABL1
SCHEMBL1505422 0.84 RAF1 (0.42) RAF1ABL1PDE4BPIK3R1PIK3CA
SCHEMBL1505632 0.84 ABL1 (0.40) MAPK1ABL1
SCHEMBL12833097 0.83 FGFR1 (0.42) TSHR
SCHEMBL2135000 0.82 GSK3B (0.40) RAF1MAPK1ABL1TSHRPIK3R1
SCHEMBL1505546 0.82

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 6 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
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 RAF1 2888/4885MAPK1 2843/4885ABL1 1017/4885

“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.