SCHEMBL4609646

SCHEMBL4609646

COCCCCNC(=O)N(c1ccc(OC)cc1)c1ccnc(N[C@@H](C)C(C)(C)O)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.64
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
QPCT Q16769 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4609638 1.00 MAPK14 (0.64) MAPK14HPGDLCKSRCKDR
SCHEMBL4609475 0.97 MAPK14 (0.65) MAPK14HPGDLCKSRCKDR
SCHEMBL4609483 0.97 MAPK14 (0.65) MAPK14HPGDLCKSRCKDR
SCHEMBL4608517 0.94 MAPK14 (0.67) MAPK14LCKSRCKDR
SCHEMBL4608521 0.94 MAPK14 (0.67) MAPK14LCKSRCKDR
SCHEMBL4610627 0.93 MAPK14 (0.56) MAPK14NPC1RAB9A
SCHEMBL4610632 0.93 MAPK14 (0.56) MAPK14NPC1RAB9A
SCHEMBL4609512 0.92 MAPK14 (0.65) MAPK14LCKSRCKDRNPC1
SCHEMBL4609510 0.92 MAPK14 (0.65) MAPK14LCKSRCKDRNPC1
SCHEMBL4610318 0.91 MAPK14 (0.61) MAPK14

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 2674/4885HPGD 612/4885LCK 1578/4885

“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.