SCHEMBL3449702

SCHEMBL3449702

CCC(O)(CC)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.46
F2 P00734 3/20 0.46
CALCRL Q16602 1/20 0.37
KMT2A Q03164 5/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 3/20 0.33
NR3C1 P04150 3/20 0.33
CNR2 P34972 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3448158 0.91 F10 (0.46) F10F2CALCRLKMT2ATP53
SCHEMBL3450240 0.89 F10 (0.45) F10F2CALCRLKMT2ATP53
SCHEMBL3449992 0.88 F10 (0.45) F10F2CALCRLKMT2ATP53
SCHEMBL3448470 0.86 F10 (0.47) F10F2CALCRLKMT2ATP53
SCHEMBL3449003 0.86 F10 (0.48) F10F2CALCRLKMT2ATP53
SCHEMBL3449159 0.85 F10 (0.42) F10F2KMT2AMAPK1MEN1
SCHEMBL3448278 0.84 F10 (0.48) F10F2CALCRLKMT2AMEN1
SCHEMBL3451656 0.84 F10 (0.45) F10F2CALCRLKMT2AMAPK1
SCHEMBL3447912 0.83 F10 (0.48) F10F2CALCRLKMT2AMAPK1
SCHEMBL3448361 0.82 F10 (0.47) F10F2CALCRLKMT2ATP53

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 1/4885CALCRL 2629/4885

“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.