SCHEMBL668461

SCHEMBL668461

COc1ccc(Oc2cccc(NC(=O)Nc3ncc(C(C)(C)C)s3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.54
RAF1 P04049 4/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
DYRK1A Q13627 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDR P35968 1/20 0.47
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
FLT3 P36888 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
SCHEMBL668358 0.92 CDK8 (0.57) CDK8RAF1NPC1RAB9AMAPT
SCHEMBL668629 0.79 RAF1 (0.67) RAF1TP53TSHRNPC1RAB9A
SCHEMBL6286205 0.77 RAB9A (0.62) CDK8TP53TSHRNPC1RAB9A
SCHEMBL6279306 0.75 CCNE1 (0.70) CDK8TP53TSHRNPC1RAB9A
SCHEMBL6279216 0.75 CNR1 (0.62) CDK8TP53TSHRNPC1RAB9A
SCHEMBL6287288 0.74 CCNE1 (0.62) TP53TSHRNPC1RAB9AMAPT
SCHEMBL5571949 0.74 RAF1 (0.46) CDK8RAF1NPC1RAB9AMAPT
SCHEMBL28863220 0.72 CDK8 (0.91) CDK8RAF1TP53TSHR
SCHEMBL29995607 0.72 CDK8 (0.91) CDK8RAF1TP53TSHR
SCHEMBL21295338 0.72 TP53 (0.83) CDK8RAF1TP53TSHRNPC1

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 3 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-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 CDK8 137/4885RAF1 155/4885TP53 276/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CDK8 137/4885RAF1 155/4885TP53 276/4885

“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.