SCHEMBL4956360

SCHEMBL4956360

CC(NC1CNC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
CYP2D6 P10635 2/20 0.44
MAN2A1 Q16706 1/20 0.42
MAN1B1 Q9UKM7 1/20 0.42
EPHX1 P07099 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
CYP3A4 P08684 2/20 0.39
MC4R P32245 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL3316343 0.85 GAA (0.49) GAAL3MBTL1MEN1KMT2AKDM1A
SCHEMBL28217900 0.83 GAA (0.68) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL25668625 0.83 GAA (0.68) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL28217901 0.83 GAA (0.68) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL664938 0.82 GAA (0.85) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL27818229 0.82 GAA (0.85) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3314991 0.81 ADRB2 (0.54) GAAL3MBTL1MEN1KMT2ACYP2D6
SCHEMBL4153139 0.81 GAA (0.71) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL6023381 0.80 SLC6A4 (0.44) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL3314353 0.79 KDM1A (0.51) GAAL3MBTL1MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 GAA 315/4885L3MBTL1 1900/4885MEN1 1822/4885

“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.