SCHEMBL6701751

SCHEMBL6701751

CC(=O)Nc1nc2ccccc2c2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 3/20 0.48
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
KDM1A O60341 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 2/20 0.42
APP P05067 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL2761000 0.89 ADORA3 (0.41) ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL6105403 0.83 ALDH1A1 (0.53) ADORA3ADORA2AKDM4EKMT2AMAPT
SCHEMBL2369253 0.79 KDM4E (0.36) KDM4EKMT2ARAD52SMN1; SMN2MEN1
SCHEMBL6099467 0.79 MAPT (0.42) ADORA3KDM4EKMT2AMAPTLMNA
SCHEMBL3817794 0.76 PDE4A (0.37) KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL9525128 0.74 ACP1 (0.37) KDM4EKMT2AMAPTLMNASMN1; SMN2
SCHEMBL4827384 0.73 DYRK1A (0.47) MAPTSMN1; SMN2ALDH1A1
SCHEMBL5528653 0.73 GPR3 (0.48) POLBRAD52RECQLSMN1; SMN2ALDH1A1
SCHEMBL311169 0.73 JAK2 (0.41) KDM4EKMT2AMAPTLMNAPOLB
SCHEMBL16146316 0.73 ADORA3 (0.53) ADORA3ADORA2AADORA1KDM4EKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (2 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 ADORA3 3931/4885ADORA2A 3459/4885ADORA1 4341/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 ADORA3 3931/4885ADORA2A 3459/4885ADORA1 4341/4885

“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.