SCHEMBL6105403

SCHEMBL6105403

O=C(Nc1nc2ccccc2c2[nH]cnc12)C(Cl)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADORA3 P0DMS8 10/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.36
ADORA2A P29274 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2761000 0.85 ADORA3 (0.41) SMN1; SMN2ADORA3BRD4ADORA2A
SCHEMBL6701751 0.83 ADORA3 (0.52) ALDH1A1KDM4ESMN1; SMN2ADORA3MEN1
SCHEMBL6099467 0.76 MAPT (0.42) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL5766974 0.75 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL2369253 0.73 KDM4E (0.36) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL3817794 0.73 PDE4A (0.37) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL5767664 0.72 KDM4E (0.53) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL5766624 0.72 SMN1; SMN2 (0.52) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL5766240 0.71 SMN1; SMN2 (0.51) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL4827384 0.70 DYRK1A (0.47) ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989389-B2 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-01-24 US disclosed
US-6953804-B2 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-10-11 US disclosed
US-20040138248-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-15 US disclosed
US-20040106640-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2004-06-03 US disclosed
US-6677348-B2 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-6670372-B2 Immunomodulators, for inducing cytokine biosynthesis in animals, and in the treatment of viral and neoplastic diseases; imidazo(4,5-c) quinoline-4-amine compounds that have an ether containing substituent at the 1-position 3M INNOVATIVE PROPERTIES COMPANY 2003-12-30 US disclosed
US-20030212092-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2003-11-13 US disclosed
US-20030212091-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
EP-1341789-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
WO-2002046189-A2 ARYL 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 (4 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-20040138248-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885HPGD 1542/4885KDM4E 419/4885
US-20040106640-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885HPGD 1542/4885KDM4E 419/4885
US-20030212092-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885HPGD 1542/4885KDM4E 419/4885
US-20030212091-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885HPGD 1542/4885KDM4E 419/4885

“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.