SCHEMBL3449693

SCHEMBL3449693

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C(C)(C)S(C)(=O)=O)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.48
F2 P00734 2/20 0.38
MAPK14 Q16539 2/20 0.33
NR3C1 P04150 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MEN1 O00255 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR1 P32246 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL3449908 0.91 F10 (0.47) F10F2MAPK14NR3C1MAPT
SCHEMBL3450303 0.91 F10 (0.47) F10F2MAPK14NR3C1MAPT
SCHEMBL3452169 0.90 F10 (0.46) F10F2MAPK14NR3C1MAPT
SCHEMBL14541518 0.90 F10 (0.41) F10F2
SCHEMBL13108418 0.89 F10 (0.47) F10F2MAPK14MAPTMEN1
SCHEMBL3450735 0.88 F10 (0.45) F10F2MAPK14NR3C1MAPT
SCHEMBL3449386 0.88 F10 (0.45) F10F2MAPK14NR3C1MAPT
SCHEMBL3448851 0.88 F10 (0.46) F10F2MAPK14NR3C1MAPT
SCHEMBL3449890 0.87 F10 (0.45) F10F2MAPK14NR3C1MAPT
SCHEMBL3448224 0.87 F10 (0.48) F10F2NR3C1MAPTMEN1

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F10 22/4885F2 1/4885MAPK14 2152/4885

“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.