SCHEMBL3448598

SCHEMBL3448598

CN1C=C2C(=O)N(C3CCN(C(=O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC3)CN2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
SCN9A Q15858 1/20 0.37
F10 P00742 4/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
ATM Q13315 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PABPC1 P11940 1/20 0.35
TACR1 P25103 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
SCHEMBL3447895 0.88 F10 (0.39) KMT2AF10KDM4EF2PRSS1
SCHEMBL3449307 0.86 CALCRL (0.43) CALCRLKMT2AMAPK1KDM4E
SCHEMBL3448162 0.85 CALCRL (0.37) CALCRLKMT2AMAPK1HRH2HRH1
SCHEMBL3448474 0.85 CALCRL (0.37) CALCRLKMT2AMAPK1HRH2HRH1
SCHEMBL3447659 0.84 CCR1 (0.39) F10F2PRSS1
SCHEMBL3449902 0.84 CTSS (0.40) CTSSCTSKKMT2AMAPK1SCN9A
SCHEMBL3448280 0.84 KMT2A (0.46) CALCRLCTSKKMT2AMAPK1HRH2
SCHEMBL3449994 0.83 CALCRL (0.36) CALCRLKMT2AMAPK1HRH2HRH1
SCHEMBL3449005 0.82 KMT2A (0.39) CALCRLKMT2AMAPK1HRH2HRH1
SCHEMBL3449704 0.82 CALCRL (0.37) CALCRLKMT2AMAPK1HRH2HRH1

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 2629/4885CTSS 2756/4885CTSK 3397/4885

“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.