SCHEMBL2135000

SCHEMBL2135000

CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c(-c2cncc(-c3nnc(C)o3)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
RAF1 P04049 2/20 0.39
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL2133577 0.94 FGFR1 (0.38) ABL1
SCHEMBL3432499 0.92 GSK3B (0.42) GSK3BDYRK1AMAPK1TSHRABL1
SCHEMBL2135119 0.89 GSK3B (0.41) GSK3BDYRK1AMAPK1PIK3R1PIK3CA
SCHEMBL2133209 0.89 PIK3R1 (0.36) RAF1MAPK1PIK3R1PIK3CAABL1
SCHEMBL1505544 0.88 RAF1 (0.40) RAF1PIK3R1PIK3CA
SCHEMBL2135193 0.88 ABL1 (0.36) ABL1
SCHEMBL1505422 0.86 RAF1 (0.42) RAF1PIK3R1PIK3CAABL1
SCHEMBL3432502 0.86 ABL1 (0.40) GSK3BDYRK1AABL1
SCHEMBL2131205 0.86 FAAH (0.37)
SCHEMBL2131422 0.85

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 GSK3B 3336/4885DYRK1A 3966/4885RAF1 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.