SCHEMBL4828825

SCHEMBL4828825

COc1ccc(Nc2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 1/20 0.65
PLK1 P53350 8/20 0.60
CDK2 P24941 2/20 0.53
CDK4 P11802 1/20 0.53
IGF1R P08069 1/20 0.50
KDR P35968 2/20 0.49
SYK P43405 1/20 0.49
MAPK14 Q16539 2/20 0.48
EGFR P00533 1/20 0.47
EPHB4 P54760 1/20 0.45
KCNH3 Q9ULD8 1/20 0.45
AURKA O14965 2/20 0.45
FAM20C Q8IXL6 1/20 0.44

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
SCHEMBL14009478 0.85 MEN1 (0.61) MAPK1MEN1NPC1ALDH1A1LMNA
Oxalic Acid SCHEMBL4608690 0.80 PLK1 (0.56) MAPK1MEN1NPC1LMNAMAPT
SCHEMBL270442 0.79 MAPT (0.76) MAPK1MEN1NPC1ALDH1A1LMNA
SCHEMBL17915952 0.77 MAPT (0.82) MAPK1MEN1NPC1ALDH1A1LMNA
SCHEMBL15137019 0.77 MEN1 (0.72) MAPK1MEN1NPC1ALDH1A1LMNA
SCHEMBL1925725 0.75 PLK1 (1.00) MAPK1PLK1CDK2KDRAURKA
SCHEMBL1925728 0.75 PLK1 (1.00) MAPK1PLK1CDK2KDRAURKA
SCHEMBL301341 0.74 MAPT (0.76) MAPK1MEN1NPC1ALDH1A1LMNA
SCHEMBL1925983 0.73 PLK1 (0.94) MAPK1PLK1CDK2KDRAURKA
SCHEMBL4609649 0.73 MAPK14 (0.73) MAPK1MEN1NPC1ALDH1A1LMNA

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 6 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 disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP disclosed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO 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 MAPK1 1198/4885MEN1 3574/4885NPC1 3402/4885

“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.