SCHEMBL3448594

SCHEMBL3448594

Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)OC(C)(C)C)c3ccccc3)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.46
F2 P00734 4/20 0.46
CALCRL Q16602 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
SCN9A Q15858 1/20 0.36
PRSS1 P07477 2/20 0.36
S1PR3 Q99500 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL3447891 0.90 F10 (0.51) F10F2PRSS1
SCHEMBL3449304 0.86 F10 (0.45) F10F2CALCRL
SCHEMBL3448470 0.86 F10 (0.47) F10F2CALCRLKMT2AMAPK1
SCHEMBL3447656 0.85 F10 (0.47) F10F2PRSS1
SCHEMBL3449900 0.85 F10 (0.41) F10F2CTSSCTSKKMT2A
SCHEMBL3448158 0.84 F10 (0.46) F10F2CALCRLKMT2AMAPK1
SCHEMBL3448278 0.84 F10 (0.48) F10F2CALCRLCTSKKMT2A
SCHEMBL3449992 0.83 F10 (0.45) F10F2CALCRLKMT2AMAPK1
SCHEMBL3449330 0.83 F10 (0.45) F10F2KMT2AS1PR3
SCHEMBL3449003 0.82 F10 (0.48) F10F2CALCRLKMT2AMAPK1

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.