SCHEMBL669081

SCHEMBL669081

CCC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.60
MAPK14 Q16539 7/20 0.55
ERBB2 P04626 1/20 0.53
MAPK11 Q15759 1/20 0.53
CCNC P24863 1/20 0.53
CDK8 P49336 1/20 0.53
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
MAPK13 O15264 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.46
NAMPT P43490 1/20 0.46
CYP17A1 P05093 1/20 0.46

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
SCHEMBL668557 0.91 RAF1 (0.60) RAF1MAPK14ERBB2MAPK11CCNC
SCHEMBL667885 0.90 RAF1 (0.72) RAF1MAPK14ERBB2MAPK11CCNC
SCHEMBL5576199 0.86 RAF1 (0.58) RAF1MAPK14RAB9AMAPK13ALDH1A1
SCHEMBL938751 0.86 RAF1 (0.80) RAF1MAPK14MAPK11MAPK13
SCHEMBL668592 0.79 MAPK14 (0.55) RAF1MAPK14KMT2AMAPK13SMN1; SMN2
SCHEMBL5573475 0.78 RAF1 (0.68) RAF1MAPK14MAPK11RAB9AMAPK13
SCHEMBL667449 0.77 RAF1 (0.80) RAF1MAPK14MAPK11MAPK13
SCHEMBL5576204 0.77 MAPK14 (0.53) RAF1MAPK14POLBMAPK13GAA
SCHEMBL3631478 0.76 MAPT (0.52) RAF1MAPK14ERBB2MAPK11CCNC
SCHEMBL937126 0.76 MAPK14 (0.49) RAF1MAPK14ALDH1A1

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 9 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

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 31/4885ERBB2 537/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 RAF1 155/4885MAPK14 31/4885ERBB2 537/4885

“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.