SCHEMBL977397

SCHEMBL977397

C=C(C)c1cnc2nc(O)n(CCCCC)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 2/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
ACHE P22303 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 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
SCHEMBL977370 0.80 TLR8 (0.35) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL15321524 0.80 ADORA2B (0.38) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL976332 0.80 TLR8 (0.35) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL974847 0.79 TLR8 (0.33) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL1929058 0.78 TLR8 (0.34) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL977649 0.78 ADORA2B (0.37) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL1929788 0.78 NOS1 (0.35) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL977595 0.77 PDE4B (0.35) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL977011 0.77 TLR8 (0.34) TLR8KDM4EALDH1A1GAAGLA
SCHEMBL2289585 0.77 TLR8 (0.36) TLR8KDM4EALDH1A1GAAGLA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS INC (US) 2017-09-21 US claimed
EP-2069352-B9 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2017-03-15 EP claimed
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 EP claimed
EP-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 EP claimed
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. 2015-03-05 US claimed
EP-2834269-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION Cytokinetics, Inc. (US) 2015-02-11 EP claimed
EP-2666777-A1 Certain chemical entities having an imidazo<4,5-b>pyrazin-2(3H)-one core, compositions and methods Cytokinetics, Inc. (US) 2013-11-27 EP claimed
WO-2013151938-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. (US) 2013-10-10 WO claimed
EP-2069352-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-10-09 EP claimed
EP-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 EP claimed
US-8293761-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2012-10-23 US claimed
US-8227603-B2 Modulating skeletal muscle CYTOKINETICS, INC. (US) 2012-07-24 US claimed
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 US claimed
US-20100210645-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US claimed
US-7598248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2009-10-06 US claimed
EP-2069352-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2009-06-17 EP claimed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US claimed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYTOKINETICS, INCORPORATED (US) 2020-09-08 US disclosed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US 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 (6 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-20100210645-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 TLR8 4865/4885KDM4E 4534/4885ALDH1A1 4078/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 TLR8 3905/4885KDM4E 3097/4885ALDH1A1 2459/4885
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, TNNT2 TLR8 4299/4885KDM4E 3991/4885ALDH1A1 1865/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 TLR8 4865/4885KDM4E 4534/4885ALDH1A1 4078/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 TLR8 4876/4885KDM4E 2326/4885ALDH1A1 1112/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 TLR8 4548/4885KDM4E 3314/4885ALDH1A1 2480/4885

“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.