SCHEMBL10171853

SCHEMBL10171853

N#Cc1ccn(C2CCN(C(=O)OI)CC2)c1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
MGLL Q99685 5/20 0.33
HSD11B1 P28845 2/20 0.33
GPR119 Q8TDV5 4/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RORC P51449 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL368619 0.84 GPR119 (0.43) KDM1AMGLLGPR119
SCHEMBL10171868 0.82 KDM1A (0.33) KDM1AMGLLHSD11B1AOC3
SCHEMBL10171856 0.76 L3MBTL1 (0.34) KDM1AMGLLHSD11B1GPR119ALDH1A1
SCHEMBL10140492 0.69 GPR119 (0.41) MGLLGPR119
SCHEMBL10171863 0.66 KDM1A (0.35) KDM1A
SCHEMBL357664 0.64 GPR119 (0.39) MGLLGPR119L3MBTL1
SCHEMBL357663 0.64 GPR119 (0.39) MGLLGPR119L3MBTL1
SCHEMBL15406926 0.63 PRKCG (0.49) KDM1AGPR119
SCHEMBL7888733 0.62 GPR119 (0.47) GPR119HPGD
SCHEMBL23579939 0.61 SMN1; SMN2 (0.56) ALDH1A1HPGDALOX15HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 KDM1A 2838/4885MGLL 4394/4885HSD11B1 2405/4885

“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.