SCHEMBL1301329

SCHEMBL1301329

CC(C)Cn1cnc(C#N)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TLR7 Q9NYK1 2/20 0.35
LMNA P02545 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADORA2A P29274 1/20 0.35
ADRA1A P35348 1/20 0.35
NUDT1 P36639 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
TGFBR1 P36897 1/20 0.34
RPS6KB1 P23443 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL10147182 0.81 POLB (0.40) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL1301644 0.79 PKM (0.40) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL16321075 0.76 POLB (0.44) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL13980982 0.73 ADORA2A (0.47) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL18721825 0.70
SCHEMBL1302589 0.69 TLR7 (0.41) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL4817123 0.68 TLR7 (0.67) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL19553628 0.67 POLB (0.55) POLBKCNH2CHRNB2CHRNA4
SCHEMBL8465200 0.67 ADORA2A (0.47) LMNAADORA2ATGFBR1SMN1; SMN2CCNE1
SCHEMBL8465291 0.67 ADORA2A (0.47) LMNAADORA2ATGFBR1SMN1; SMN2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034336-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-05-19 US disclosed
US-9034336-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-05-19 US disclosed
US-20140212442-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-07-31 US disclosed
US-20140212442-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-07-31 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
EP-2009002-A1 New process for the manufacture of 1H-imidazo [4,5-c]-quinoline ring systems INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-12-31 EP disclosed
EP-1863770-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006121528-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-11-16 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-20110269965-A1 Ring Closing and Related Methods and Intermediates CYP11B1, CYP11B2, CYP2F1 POLB 369/4885TLR7 4832/4885LMNA 774/4885
US-20140212442-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD40, CD47, FCGRT POLB 3997/4885TLR7 124/4885LMNA 4880/4885

“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.