SCHEMBL976247

SCHEMBL976247

C[C@@H](c1ccccc1)n1c(=O)[nH]c2ncc(CN3CCN(C)CC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.48
USP1 O94782 2/20 0.42
MAP3K11 Q16584 1/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
MC4R P32245 2/20 0.38
MTOR P42345 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
FAAH O00519 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR1A P08908 1/20 0.35
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL976248 1.00 FYN (0.48) FYNUSP1MAP3K11JAK2JAK3
SCHEMBL975621 0.91 FYN (0.48) FYNUSP1JAK2JAK3JAK1
SCHEMBL975619 0.91 FYN (0.48) FYNUSP1JAK2JAK3JAK1
SCHEMBL977844 0.89 FYN (0.47) FYNUSP1JAK2JAK3JAK1
SCHEMBL977846 0.89 FYN (0.47) FYNUSP1JAK2JAK3JAK1
SCHEMBL975430 0.82 FYN (0.54) FYNUSP1JAK2JAK3JAK1
SCHEMBL975431 0.82 FYN (0.54) FYNUSP1JAK2JAK3JAK1
SCHEMBL976930 0.82 FYN (0.53) FYNUSP1JAK2JAK3JAK1
SCHEMBL976931 0.82 FYN (0.53) FYNUSP1JAK2JAK3JAK1
SCHEMBL976792 0.81 FYN (0.52) FYNUSP1JAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
EP-2995619-B1 CERTAIN CHEMICAL ENTITIES COMPRISING IMIDAZOPYRIMIDINES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2019-09-25 EP disclosed
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC. 2019-06-06 US disclosed
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS INC (US) 2017-09-21 US disclosed
EP-2069352-B9 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2017-03-15 EP disclosed
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 EP disclosed
US-20100210645-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US disclosed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 US disclosed
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 disclosed
EP-2069352-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2009-06-17 EP disclosed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (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 FYN 1580/4885USP1 2391/4885MAP3K11 1398/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 FYN 1007/4885USP1 924/4885MAP3K11 3679/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 FYN 1580/4885USP1 2391/4885MAP3K11 1398/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 FYN 2324/4885USP1 4059/4885MAP3K11 1239/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 FYN 2763/4885USP1 640/4885MAP3K11 2088/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 FYN 1580/4885USP1 2391/4885MAP3K11 1398/4885

“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.