SCHEMBL1301644

SCHEMBL1301644

CC(C)Cn1cnc(C#N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
POLB P06746 2/20 0.39
RPS6KB1 P23443 2/20 0.39
TLR7 Q9NYK1 3/20 0.38
ADORA2A P29274 2/20 0.38
LMNA P02545 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
NUDT1 P36639 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
TGFBR1 P36897 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
SLC29A1 Q99808 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL8465200 0.87 ADORA2A (0.47) PKMADORA2ALMNATGFBR1CCNE1
SCHEMBL8465291 0.87 ADORA2A (0.47) PKMADORA2ALMNATGFBR1CCNE1
SCHEMBL10147182 0.81 POLB (0.40) PKMPOLBRPS6KB1TLR7ADORA2A
SCHEMBL6611707 0.80 PKM (0.47) PKMADORA2ATGFBR1CCNE1CDK2
SCHEMBL1301329 0.79 POLB (0.39) POLBRPS6KB1TLR7ADORA2ALMNA
SCHEMBL1302589 0.75 TLR7 (0.41) PKMPOLBRPS6KB1TLR7ADORA2A
SCHEMBL13984221 0.72 TP53 (0.40) POLBTLR7ADORA2ALMNAHRH2
SCHEMBL3130833 0.70 ADORA2A (0.47) PKMADORA2ALMNASMN1; SMN2MEN1
SCHEMBL2112231 0.70
SCHEMBL14944585 0.68 CYP11B1 (0.40) PKMTLR7LMNAADORA1

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 16 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
WO-2013033345-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-03-07 WO disclosed
WO-2013033345-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-03-07 WO 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-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 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 (3 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 PKM 1611/4885POLB 369/4885RPS6KB1 857/4885
US-20140212442-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD40, CD47, FCGRT PKM 4456/4885POLB 3997/4885RPS6KB1 405/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT PKM 2065/4885POLB 18/4885RPS6KB1 1412/4885

“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.