SCHEMBL977643

SCHEMBL977643

CCC(CN1CCN(C(=O)OC)CC1)n1c(=O)[nH]c2ncc(Br)nc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 2/20 0.34
MTOR P42345 2/20 0.34
CYP3A4 P08684 2/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
MAPT P10636 1/20 0.31
JAK3 P52333 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR3A P46098 1/20 0.31
HTR4 Q13639 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL15321334 0.90 CYP1A2 (0.47) CYP1A2MTORPDE3BPDE3ATSHR
SCHEMBL976856 0.86 CYP1A2 (0.50) CYP1A2MTOR
SCHEMBL978018 0.83 CYP1A2 (0.49) CYP1A2MTORCYP3A4HSD17B10
SCHEMBL977387 0.83 CYP1A2 (0.49) CYP1A2MTORCYP3A4HSD17B10
SCHEMBL977388 0.83 CYP1A2 (0.49) CYP1A2MTORCYP3A4HSD17B10
SCHEMBL979476 0.82 CYP1A2 (0.47) CYP1A2MTORPDE3BPDE3AKDM4E
SCHEMBL975515 0.82 CYP2D6 (0.32) CYP2D6CYP3A4KDM4EHSD17B10BRD4
SCHEMBL977805 0.80 CYP1A2 (0.66) CYP1A2MTORMAPT
SCHEMBL4049589 0.80 CYP1A2 (0.42) CYP1A2MTOR
SCHEMBL975150 0.78 CYP1A2 (0.55) CYP1A2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 EP claimed
CN-102993204-A Certain chemical entities, compositions and methods CYTOKINETICS INC 2013-03-27 CN claimed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 US claimed
CN-101522681-A Specific chemical entities, compositions and methods CYTOKINETICS INC (US) 2009-09-02 CN 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
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-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
CN-101522681-A Specific chemical entities, compositions and methods CYTOKINETICS INC (US) 2009-09-02 CN 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 (4 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-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885CYP2D6 3901/4885MTOR 607/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 CYP1A2 20/4885CYP2D6 64/4885MTOR 3297/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 CYP1A2 4298/4885CYP2D6 4288/4885MTOR 3118/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885CYP2D6 3901/4885MTOR 607/4885

“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.