SCHEMBL3246252

SCHEMBL3246252

CC(C)(C)c1cc(C(N)=O)c(N)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 4/20 0.34
RAF1 P04049 2/20 0.34
MAPK14 Q16539 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
HPGD P15428 2/20 0.33
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL3552066 0.85 KMT2A (0.47) IKBKBL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL3206449 0.80 GAA (0.53) L3MBTL1ALDH1A1KMT2AMAPTMEN1
Formamide SCHEMBL28359917 0.79 ALDH1A1 (0.42) IKBKBL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL3647679 0.76 GAA (0.63) IKBKBALDH1A1KMT2AMAPTMEN1
SCHEMBL13315098 0.75 YEATS4 (0.50) ALDH1A1KMT2AMEN1GAAMAPK14
SCHEMBL166884 0.74 ALDH1A1 (0.58) IKBKBL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL164073 0.73 IKBKB (0.46) IKBKBL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL28359916 0.73 GAA (0.40) L3MBTL1ALDH1A1KMT2AMAPTMEN1
SCHEMBL15943479 0.73 IKBKB (0.53) IKBKBL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL3510066 0.72 IKBKB (0.65) IKBKBALDH1A1KMT2AMAPTMEN1

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-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 IKBKB 57/4885L3MBTL1 3315/4885ALDH1A1 1139/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 IKBKB 57/4885L3MBTL1 3315/4885ALDH1A1 1139/4885

“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.