Sugi Predict

Sugi Predict / Compounds / SCHEMBL668788

SCHEMBL668788

SCHEMBL668788

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3cc[n+]([O-])cc3)cc2)no1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.74
▸ KDR P35968 2/20 0.63
▸ MAPK14 Q16539 3/20 0.62
▸ MEN1 O00255 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ FLT3 P36888 6/20 0.60
▸ MAPK13 O15264 1/20 0.56
▸ MAPK12 P53778 1/20 0.56
▸ MAPK11 Q15759 1/20 0.56
▸ RIPK2 O43353 1/20 0.55

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
SCHEMBL667635 0.85 RAF1 (1.00) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13853030 0.85 RAF1 (0.74) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234666 0.81 MAPK14 (0.78) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234468 0.80 FLT3 (0.77) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234414 0.79 FLT3 (0.79) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234702 0.79 FLT3 (0.77) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234393 0.78 RAF1 (0.68) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234435 0.78 MAPK14 (0.78) RAF1KDRMAPK14MEN1NPC1
SCHEMBL2943933 0.78 MAPK14 (0.78) RAF1KDRMAPK14MEN1NPC1
SCHEMBL13234418 0.78 MAPK14 (0.78) RAF1KDRMAPK14MEN1NPC1

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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 155/4885KDR 3718/4885MAPK14 31/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 RAF1 155/4885KDR 3718/4885MAPK14 31/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885KDR 958/4885MAPK14 127/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885KDR 958/4885MAPK14 127/4885

“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.