SCHEMBL4590838

SCHEMBL4590838

CCNc1nc(NCCCOC)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.44
ALDH1A1 P00352 3/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
JAK3 P52333 1/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL28139888 0.76 PDE10A (0.46) HCAR3ALDH1A1PIM1PIM2KDM4E
SCHEMBL2638388 0.73 KDM4E (0.51) HCAR3ALDH1A1PIM1PIM2KDM4E
SCHEMBL11484236 0.71 ACLY (0.49) HCAR3ALDH1A1KDM4EKMT2APOLB
SCHEMBL720894 0.70 GABRP (0.42) HCAR3ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL17311104 0.69 P2RX7 (0.56) HCAR3ALDH1A1PIM1PIM2KDM4E
SCHEMBL4495280 0.69 KMT2A (0.48) ALDH1A1KDM4EKMT2APOLBHSD17B10
Fluoride SCHEMBL3339659 0.69 GABRP (0.41) HCAR3ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL1900413 0.68 GABRP (0.51) HCAR3ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL2894358 0.68 JAK3 (0.44) HCAR3ALDH1A1KDM4EKMT2AJAK3
SCHEMBL4590843 0.68 PTGER4 (0.40) ALDH1A1KDM4EKMT2AKCNH3JAK3

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 HCAR3 275/4885ALDH1A1 885/4885PIM1 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.