SCHEMBL3449902

SCHEMBL3449902

CN1C=C2C(=O)N(N3CCN(C(=O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC3)CN2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BACE1 P56817 2/20 0.37
SCN9A Q15858 1/20 0.37
ATM Q13315 1/20 0.36
TACR1 P25103 2/20 0.35
F2 P00734 4/20 0.35
F10 P00742 4/20 0.35
PRSS1 P07477 3/20 0.35
KMT2A Q03164 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL3449987 0.85 RET (0.42) CTSSCTSKKMT2AALDH1A1LMNA
SCHEMBL3448869 0.85 HRH2 (0.33) KMT2AHRH2HRH1MAPK1
SCHEMBL3448598 0.84 CALCRL (0.40) CTSSCTSKSCN9AATMTACR1
SCHEMBL3448453 0.84 HRH2 (0.33) KMT2AHRH2HRH1MAPK1
SCHEMBL3448661 0.83 AAK1 (0.36) KMT2AHRH2HRH1MAPK1ALDH1A1
SCHEMBL3447727 0.83 MAPK1 (0.33) KMT2AHRH2HRH1MAPK1
SCHEMBL3447874 0.82 HRH2 (0.38) CTSKKMT2AHRH2HRH1MAPK1
SCHEMBL3449161 0.81 MC4R (0.35) KMT2AHRH2HRH1MAPK1
SCHEMBL3449806 0.81 HRH2 (0.37) KMT2AHRH2HRH1MAPK1ALDH1A1
SCHEMBL3448985 0.81 AAK1 (0.36) KMT2AHRH2HRH1MAPK1ALDH1A1

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 CTSS 2756/4885CTSK 3397/4885BACE1 4287/4885

“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.