SCHEMBL2113617

SCHEMBL2113617

O=C(CCl)Nc1cnc2cc(Br)ccc2c1NCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
LRRK2 Q5S007 1/20 0.39
VNN1 O95497 1/20 0.37
CNR2 P34972 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
DYRK1B Q9Y463 1/20 0.35
EGFR P00533 1/20 0.34
TTK P33981 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A3 P11169 1/20 0.34
CNR1 P21554 2/20 0.34
CYP3A4 P08684 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL3869962 0.78 KCNH2 (0.42) KCNH2ATMATRLRRK2VNN1
SCHEMBL2113586 0.77 PTGES (0.41) KCNH2ATMATRLRRK2
SCHEMBL4316875 0.76 PTGER4 (0.40) KCNH2ATMATRLRRK2CNR2
SCHEMBL16695026 0.73 EGFR (0.45) KCNH2ATMATRCNR2EGFR
Hydrochloric Acid SCHEMBL5617664 0.73 EGFR (0.44) KCNH2ATMATRCNR2EGFR
Hydrochloric Acid SCHEMBL3864036 0.69 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19CYP2D6RXFP1
SCHEMBL18171885 0.68 CHEK1 (0.42) KCNH2ATMATRCNR2CYP1A2
SCHEMBL3870003 0.68 ALDH1A1 (0.41) KCNH2ATMATR
SCHEMBL21723726 0.67 TERT (0.39) LRRK2AAK1
SCHEMBL3861791 0.67 IDO1 (0.41) KCNH2ATMATRDYRK1BAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 KCNH2 4722/4885ATM 3995/4885ATR 4304/4885
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 KCNH2 3353/4885ATM 3099/4885ATR 1969/4885

“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.