SCHEMBL439097

SCHEMBL439097

NCc1cccnc1-c1ncccc1CN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.63
LOXL2 Q9Y4K0 2/20 0.43
PNMT P11086 2/20 0.41
ADRB2 P07550 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
AOC1 P19801 3/20 0.37
AOC3 Q16853 3/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL5616194 0.85 DPP4 (0.59) DPP4LOXL2PNMTADRB2
SCHEMBL30595830 0.83 DPP4 (0.57) DPP4LOXL2TDP1BLMHRH1
SCHEMBL1275952 0.83 DPP4 (0.57) DPP4LOXL2TDP1BLMHRH1
SCHEMBL30332536 0.80 CYP2A6 (0.56) DPP4LOXL2KDM4E
SCHEMBL3711456 0.80 DPP4 (0.50) DPP4LOXL2ADRB2
SCHEMBL6730614 0.80 DPP4 (0.50) DPP4LOXL2ADRB2MEN1KMT2A
SCHEMBL9400328 0.80 CYP2A6 (0.56) DPP4LOXL2KDM4E
SCHEMBL1274801 0.79 LOXL2 (0.50) DPP4LOXL2ADRB2
SCHEMBL30332439 0.79 DPP4 (0.49) DPP4
SCHEMBL18677234 0.79 DPP4 (0.49) DPP4LOXL2TDP1NSD2MEN1

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-20230381348-A1 BIFUNCTIONAL MACROCYCLIC CHELATE, CONJUGATE, METAL COMPLEX AND USE THEREOF JYAMS PET RESEARCH & DEVELOPMENT LIMITED (CN) 2023-11-30 US disclosed
US-20230381348-A1 BIFUNCTIONAL MACROCYCLIC CHELATE, CONJUGATE, METAL COMPLEX AND USE THEREOF JYAMS PET RESEARCH & DEVELOPMENT LIMITED (CN) 2023-11-30 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-20230381348-A1 BIFUNCTIONAL MACROCYCLIC CHELATE, CONJUGATE, METAL COMPLEX AND USE THEREOF C9, CNKSR1, NBAS DPP4 3777/4885LOXL2 4604/4885PNMT 2356/4885

“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.