SCHEMBL4836698

SCHEMBL4836698

COC[C@H](C)Nc1nccc(N(C(=O)NCc2ccc(Cl)cc2)c2ccc(OC)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.57
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALDH1A1 P00352 2/20 0.41
VNN1 O95497 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 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
SCHEMBL4836694 1.00 MAPK14 (0.57) MAPK14CLK1CLK2DYRK1ACLK4
SCHEMBL4828843 0.91 MAPK14 (0.68) MAPK14
SCHEMBL4828846 0.91 MAPK14 (0.68) MAPK14
SCHEMBL4836091 0.91 MAPK14 (0.56) MAPK14ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4836078 0.91 MAPK14 (0.56) MAPK14ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4832071 0.91 MAPK14 (0.57) MAPK14CLK1CLK2DYRK1ACLK4
SCHEMBL4832061 0.91 MAPK14 (0.57) MAPK14CLK1CLK2DYRK1ACLK4
SCHEMBL4835042 0.90 MAPK14 (0.56) MAPK14ALDH1A1KMT2A
SCHEMBL4835036 0.90 MAPK14 (0.56) MAPK14ALDH1A1KMT2A
SCHEMBL4835149 0.89 MAPK14 (0.57) MAPK14ALDH1A1HTTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 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 (1 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 MAPK14 2674/4885CLK1 3504/4885CLK2 3719/4885

“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.