SCHEMBL3242693

SCHEMBL3242693

COC(=O)c1c(NC(=O)Nc2cccc3ccccc23)cc(C(C)(C)C)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 1.00
RAF1 P04049 1/20 0.64
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
NLRP3 Q96P20 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
DDR2 Q16832 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3241657 0.83 MAPK14 (1.00) MAPK14RAF1KDM4EMEN1KMT2A
SCHEMBL3237625 0.82 MAPK14 (1.00) MAPK14RAF1MEN1KMT2A
SCHEMBL3226707 0.78 MAPK14 (1.00) MAPK14RAF1ALDH1A1MAPT
SCHEMBL3249076 0.75 RAF1 (0.67) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6161599 0.75 MAPK14 (0.58) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6161581 0.74 MAPK14 (0.66) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3245596 0.74 RAF1 (0.68) MAPK14RAF1KDM4EMEN1KMT2A
SCHEMBL3241506 0.74 MAPK14 (1.00) MAPK14RAF1KDM4EMEN1KMT2A
SCHEMBL6162858 0.73 MAPK14 (0.56) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL30393282 0.72 KDM4E (0.82) KDM4EMEN1KMT2AALDH1A1POLB

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-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US claimed
JP-4344960-B2 2009-10-14 JP claimed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP claimed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US claimed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US claimed
JP-2001526687-A 2001-12-18 JP claimed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP claimed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP claimed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO claimed

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 MAPK14 40/4885RAF1 237/4885KDM4E 2456/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 40/4885RAF1 237/4885KDM4E 2456/4885

“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.