SCHEMBL10171868

SCHEMBL10171868

N#Cc1ccn(C2CCN(C(=O)OI)CC2)c1/N=C/N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
HSD11B1 P28845 1/20 0.31
MGLL Q99685 1/20 0.31
AOC3 Q16853 2/20 0.30

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
SCHEMBL10140492 0.86 GPR119 (0.41) MGLL
SCHEMBL10171856 0.84 L3MBTL1 (0.34) KDM1AHSD11B1MGLL
SCHEMBL10171853 0.82 KDM1A (0.36) KDM1AHSD11B1MGLLAOC3
SCHEMBL10171863 0.80 KDM1A (0.35) KDM1A
SCHEMBL357664 0.72 GPR119 (0.39) MGLL
SCHEMBL357663 0.72 GPR119 (0.39) MGLL
SCHEMBL368619 0.68 GPR119 (0.43) KDM1AMGLL
SCHEMBL10139692 0.67 GPR119 (0.35) KDM1AMGLL
SCHEMBL29040308 0.59 SRC (0.44)
SCHEMBL29040306 0.59 SRC (0.44)

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 2838/4885HSD11B1 2405/4885MGLL 4394/4885

“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.