SCHEMBL667912

SCHEMBL667912

COc1ccc(Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)no3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.70
MAPK14 Q16539 4/20 0.68
FLT3 P36888 2/20 0.58
ALDH1A1 P00352 1/20 0.56
BRAF P15056 2/20 0.55
NTRK1 P04629 3/20 0.53
NTRK3 Q16288 1/20 0.53
NTRK2 Q16620 1/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
RET P07949 1/20 0.51
EPHB2 P29323 1/20 0.51
KDR P35968 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13234433 0.96 RAF1 (0.74) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL669077 0.93 RAF1 (0.81) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL13234595 0.84 RAF1 (0.71) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL13234411 0.83 MAPK14 (0.72) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL668575 0.83 RAF1 (0.81) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL667897 0.82 RAF1 (1.00) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL13234417 0.82 MAPK14 (0.83) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL13239491 0.82 MAPK14 (0.78) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL13234434 0.81 MAPK14 (1.00) RAF1MAPK14FLT3ALDH1A1BRAF
SCHEMBL18232987 0.81 MAPK14 (0.76) RAF1MAPK14FLT3ALDH1A1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US claimed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US claimed
JP-4403482-B2 2010-01-27 JP claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 RAF1 155/4885MAPK14 31/4885FLT3 167/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 RAF1 155/4885MAPK14 31/4885FLT3 167/4885

“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.