SCHEMBL10171856

SCHEMBL10171856

CCO/C=N/c1c(C#N)ccn1C1CCN(C(=O)OI)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
KDM1A O60341 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
MGLL Q99685 2/20 0.31
PGR P06401 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL357664 0.88 GPR119 (0.39) L3MBTL1GPR119MGLLPGRCYP2D6
SCHEMBL357663 0.88 GPR119 (0.39) L3MBTL1GPR119MGLLPGRCYP2D6
SCHEMBL10171868 0.84 KDM1A (0.33) KDM1AMGLLHSD11B1
SCHEMBL10171853 0.76 KDM1A (0.36) L3MBTL1GPR119KDM1AALOX15HSD17B10
SCHEMBL10140492 0.73 GPR119 (0.41) GPR119MGLLPGRCYP2D6CYP2C9
SCHEMBL10171863 0.67 KDM1A (0.35) KDM1AGAA
SCHEMBL368619 0.65 GPR119 (0.43) GPR119KDM1AMGLLPGRCYP2D6
SCHEMBL356284 0.63 GPR119 (0.41) GPR119MGLLPGRCYP2D6CYP2C9
SCHEMBL24313085 0.61 BTK (0.56) GPR119MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18904876 0.61 BTK (0.56) GPR119MEN1KMT2ASMN1; SMN2ALDH1A1

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 L3MBTL1 4741/4885MAPK1 1423/4885GPR119 1/4885

“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.