SCHEMBL2480409

SCHEMBL2480409

CC(C)(C)OC(=O)n1nc(N)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
NR1H2 P55055 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAP2K4 P45985 1/20 0.34
ELANE P08246 1/20 0.34
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
PBRM1 Q86U86 2/20 0.33
BCHE P06276 1/20 0.33
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32
ESR2 Q92731 1/20 0.31
HDAC1 Q13547 2/20 0.31

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
SCHEMBL25519570 0.88 MAP2K4 (0.40) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL161429 0.82 FAAH (0.39) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL4978183 0.79 FAAH (0.37) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL18284944 0.78 FAAH (0.39) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL25519814 0.78 FAAH (0.39) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL2489522 0.76 ELANE (0.39) FAAHNR1H2CHRM2CHRM1CHRM3
SCHEMBL4788542 0.76 FAAH (0.35) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL19010764 0.76 FAAH (0.38) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL25203731 0.75 FAAH (0.34) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL22206164 0.75 NR1H2 (0.42) NR1H2HSP90AA1HSP90AB1MAP2K4SCD5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (2 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF FAAH 1832/4885NR1H2 2365/4885HSP90AA1 896/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF FAAH 1832/4885NR1H2 2365/4885HSP90AA1 896/4885

“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.