SCHEMBL2836798

SCHEMBL2836798

CNCc1cc(N(C(C)=O)c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
EPHX2 P34913 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
KCNH2 Q12809 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
NTRK1 P04629 1/20 0.36
POLB P06746 1/20 0.36
BCL2 P10415 1/20 0.36
BAD Q92934 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2A P28223 1/20 0.35
RIPK1 Q13546 2/20 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
SCHEMBL2838922 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL2838918 0.82 NPSR1 (0.37) MEN1KMT2AALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL2841112 0.80 MEN1 (0.43) MEN1KMT2ACACNA1GCACNA1HKCNH2
SCHEMBL3012796 0.78 RIPK1 (0.38) ALDH1A1MAPK1RIPK1
SCHEMBL3012801 0.78 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL3012799 0.76 HTR2C (0.49) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL18093107 0.76 CA1 (0.41) ALDH1A1LMNAPOLBNPSR1
Hydrochloric Acid SCHEMBL2843435 0.72 CYP2C18 (0.46) MEN1KMT2AALDH1A1CACNA1GCACNA1H
SCHEMBL18693751 0.70 MAPK1 (0.56) MEN1KMT2AALDH1A1LMNACACNA1G
SCHEMBL2838774 0.70 GAA (0.66) MEN1KMT2AALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R MEN1 3284/4885KMT2A 4103/4885ALDH1A1 2505/4885

“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.