SCHEMBL3451771

SCHEMBL3451771

CN1C=C2C(=O)N(C3CCN(C(=O)C(C)(Cc4ccccc4)NC(=O)OC(C)(C)C)CC3)CN2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
STS P08842 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
KLK5 Q9Y337 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL3449883 0.83 EPHX2 (0.37) TP53KDM4ESIGMAR1
SCHEMBL3449171 0.82 CHRM1 (0.33) TP53KMT2AL3MBTL1
SCHEMBL3448598 0.78 CALCRL (0.40) KMT2AKDM4EPKMSCN9A
SCHEMBL3449433 0.78 MEN1 (0.47) TP53KMT2AL3MBTL1SIGMAR1
SCHEMBL3449307 0.78 CALCRL (0.43) KMT2AKLK5KDM4E
SCHEMBL3449487 0.77 MAPT (0.37) TP53KMT2AKDM4E
SCHEMBL3449067 0.76 SIGMAR1 (0.45) TP53KMT2AL3MBTL1SIGMAR1
SCHEMBL3449005 0.75 KMT2A (0.39) TP53KMT2A
SCHEMBL3448474 0.74 CALCRL (0.37) TP53KMT2A
SCHEMBL3448162 0.74 CALCRL (0.37) TP53KMT2A

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 TP53 2996/4885JAK2 217/4885JAK1 440/4885

“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.