SCHEMBL4609559

SCHEMBL4609559

COc1ccc(N(C(=O)NCCO)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.68
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PLK1 P53350 1/20 0.35
LMNA P02545 1/20 0.34
PTGIR P43119 1/20 0.33
ACR P10323 1/20 0.33

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
SCHEMBL4609551 1.00 MAPK14 (0.68) MAPK14LCKSRCKDRPLK1
SCHEMBL4609181 0.95 MAPK14 (0.66) MAPK14LCKSRCKDRPLK1
SCHEMBL4609185 0.95 MAPK14 (0.66) MAPK14LCKSRCKDRPLK1
SCHEMBL4609510 0.94 MAPK14 (0.65) MAPK14LCKSRCKDRPLK1
SCHEMBL4609512 0.94 MAPK14 (0.65) MAPK14LCKSRCKDRPLK1
SCHEMBL4610169 0.93 MAPK14 (0.68) MAPK14LCKSRCKDRPLK1
SCHEMBL5000649 0.93 MAPK14 (0.68) MAPK14LCKSRCKDRPLK1
SCHEMBL4609076 0.92 MAPK14 (0.58) MAPK14
SCHEMBL4609073 0.92 MAPK14 (0.58) MAPK14
SCHEMBL4608521 0.92 MAPK14 (0.67) MAPK14LCKSRCKDRPLK1

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-7449474-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-11-11 US disclosed
EP-1747204-B1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS PROCTER & GAMBLE (US) 2008-07-30 EP disclosed
US-20050239811-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 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-20050239811-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 MAPK14 2674/4885LCK 1578/4885SRC 2721/4885

“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.