SCHEMBL3449704

SCHEMBL3449704

CCC(O)(CC)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.37
KMT2A Q03164 5/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MC4R P32245 1/20 0.33
PABPC1 P11940 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 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
SCHEMBL3448162 0.91 CALCRL (0.37) CALCRLKMT2ATP53MAPK1MEN1
SCHEMBL3450242 0.89 CALCRL (0.37) CALCRLKMT2ATP53MAPK1MEN1
SCHEMBL3449994 0.88 CALCRL (0.36) CALCRLKMT2ATP53MAPK1MEN1
SCHEMBL3449005 0.86 KMT2A (0.39) CALCRLKMT2ATP53MAPK1MEN1
SCHEMBL3448474 0.85 CALCRL (0.37) CALCRLKMT2ATP53MAPK1MEN1
SCHEMBL3448280 0.85 KMT2A (0.46) CALCRLKMT2AMAPK1MEN1HRH2
SCHEMBL3451659 0.84 CALCRL (0.41) CALCRLKMT2AMAPK1HRH2HRH1
SCHEMBL3449161 0.84 MC4R (0.35) KMT2AMAPK1MEN1HRH2HRH1
SCHEMBL3447915 0.83 CALCRL (0.45) CALCRLKMT2AMAPK1MEN1HRH2
SCHEMBL3448366 0.82 CALCRL (0.41) CALCRLKMT2ATP53MAPK1MEN1

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 CALCRL 2629/4885KMT2A 2013/4885TP53 2996/4885

“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.