SCHEMBL4590841

SCHEMBL4590841

CCc1cc(NCCCOC)nc(N)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
DYRK1A Q13627 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HCAR3 P49019 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
PDPK1 O15530 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3613323 0.83 KDM4E (0.39) PIM2HCAR3KDM4EALDH1A1L3MBTL1
SCHEMBL4590843 0.75 PTGER4 (0.40) PTGER4KDM4EALDH1A1GAAMAPT
SCHEMBL13688216 0.68 DYRK1A (0.44) PTGER4DYRK1APIM1PIM2KDM4E
SCHEMBL3645180 0.68 KDM4E (0.48) PIM2KDM4EALDH1A1TLR8HSD17B10
SCHEMBL10102076 0.67 LMNA (0.46) DYRK1APIM1PIM2KDM4EALDH1A1
SCHEMBL2638388 0.67 KDM4E (0.51) PIM1PIM2HCAR3KDM4EALDH1A1
SCHEMBL17311104 0.66 P2RX7 (0.56) PIM1PIM2HCAR3KDM4EALDH1A1
SCHEMBL4590838 0.66 HCAR3 (0.44) PTGER4PIM1PIM2HCAR3KDM4E
SCHEMBL20929510 0.65 DYRK1A (0.46) PTGER4DYRK1AKDM4EALDH1A1HSD17B10
SCHEMBL30138283 0.65 DYRK1A (0.46) PTGER4DYRK1AKDM4EALDH1A1HSD17B10

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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases ADORA2A, ADORA1, ADORA3 PTGER4 618/4885DYRK1A 1445/4885PIM1 3856/4885

“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.