SCHEMBL863139

SCHEMBL863139

CC(=O)c1ncccc1N1NNN=C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.42
ALDH1A1 P00352 3/20 0.38
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
BRD4 O60885 1/20 0.30
IDH1 O75874 1/20 0.30
GAA P10253 1/20 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
SCHEMBL862954 0.89 MYC (0.56) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13588385 0.77 MYC (0.42) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13588386 0.71 MYC (0.56) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL17449166 0.70 HCRTR1 (0.47) MYCALDH1A1HCRTR1HCRTR2
SCHEMBL2083922 0.67 ALDH1A1 (0.47) MYCALDH1A1PDE3BPDE3AKDM4E
SCHEMBL21988904 0.67 HCRTR1 (0.44) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL18412761 0.65 POLB (0.51) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL720162 0.63 EGLN2 (0.51) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL187727 0.63 KDM4E (0.55) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL28731814 0.63 MYC (0.39) MYCALDH1A1PDE3BPDE3AKDM4E

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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 MYC 417/4885ALDH1A1 1223/4885PDE3B 1365/4885

“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.