SCHEMBL1506152

SCHEMBL1506152

CCNC(=O)Nc1cc(-c2nc(-c3cnn(C)c3)cs2)c(-c2cc(C(=O)NN)cnc2OC2CCOCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
FGFR1 P11362 1/20 0.39
FGFR3 P22607 1/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 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
SCHEMBL12833102 0.94 IRAK4 (0.39) IRAK4FGFR1FGFR3MAPK1PIK3CA
SCHEMBL2133216 0.93 IRAK4 (0.40) IRAK4FGFR1FGFR3MAPK1PIK3CA
SCHEMBL2135334 0.88 IRAK4 (0.40) IRAK4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL2130446 0.86 IRAK4 (0.38) IRAK4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL3485886 0.85 MAPK1 (0.38) IRAK4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL3434733 0.84 PDE1B (0.37)
SCHEMBL2137725 0.83 MAPK1 (0.36) MAPK1
SCHEMBL2133220 0.81 FGFR1 (0.36) IRAK4FGFR1FGFR3MAPK1PIK3CA
SCHEMBL3434599 0.81 MAPK1 (0.45) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL1506058 0.80 MAPK1 (0.40) IRAK4MAPK1PIK3CAMAPK8MAPK9

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 IRAK4 2462/4885FGFR1 4492/4885FGFR3 3925/4885

“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.