SCHEMBL668121

SCHEMBL668121

CC(C)c1cc(NC(=O)Nc2cccc(Sc3ccncc3)c2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
BRAF P15056 7/20 0.47
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
LMNA P02545 1/20 0.43
RAF1 P04049 4/20 0.42
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL5575753 0.89 MAPK14 (0.49) MAPK14BRAFKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5575766 0.84 RAF1 (0.61) MAPK14BRAFKMT2ASMN1; SMN2PKM
SCHEMBL668592 0.81 MAPK14 (0.55) MAPK14BRAFKMT2ASMN1; SMN2PKM
SCHEMBL5571965 0.81 BRAF (0.53) MAPK14BRAFKMT2ASMN1; SMN2PKM
SCHEMBL668089 0.76 MEN1 (0.63) MAPK14BRAFKMT2ARAF1MEN1
SCHEMBL937763 0.75 RAF1 (0.70) MAPK14BRAFALDH1A1LMNARAF1
SCHEMBL15469354 0.75 BRAF (0.77) BRAFRAF1
SCHEMBL667588 0.72 RAF1 (0.72) MAPK14ALDH1A1RAF1
SCHEMBL14402898 0.72 RAF1 (0.48) MAPK14KMT2ASMN1; SMN2PKMROCK2
SCHEMBL5575757 0.72 MAPK14 (0.48) MAPK14BRAFSMN1; SMN2ALDH1A1ROCK2

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 MAPK14 31/4885BRAF 97/4885KMT2A 2201/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885BRAF 97/4885KMT2A 2201/4885

“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.