SCHEMBL8245706

SCHEMBL8245706

COCCCn1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N(C)CCn3ccnc3)cnc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.63
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
NAMPT P43490 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL4590758 0.90 ADORA2A (0.79) ADORA2A
SCHEMBL8242529 0.88 ADORA2A (0.70) ADORA2AITK
SCHEMBL8249626 0.88 ADORA2A (0.68) ADORA2A
SCHEMBL8245643 0.88 ADORA2A (0.80) ADORA2AITK
SCHEMBL8246370 0.88 ADORA2A (0.69) ADORA2AITK
SCHEMBL8246338 0.87 ADORA2A (0.63) ADORA2AKDM4EALDH1A1GLAGAA
SCHEMBL8246921 0.87 ADORA2A (0.67) ADORA2A
SCHEMBL8240655 0.86 ADORA2A (0.65) ADORA2A
SCHEMBL8247597 0.86 ADORA2A (0.79) ADORA2A
SCHEMBL8249504 0.85 ADORA2A (0.65) ADORA2AITK

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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
WO-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO 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 ADORA2A 1/4885KDM4E 3341/4885ALDH1A1 885/4885

“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.