SCHEMBL975977

SCHEMBL975977

CCC(C(=O)N1CCOCC1)n1c(O)nc2ncc(Br)nc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
PIK3CD O00329 8/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3R1 P27986 3/20 0.34
PIK3CA P42336 2/20 0.34
USP2 O75604 1/20 0.34
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL977920 0.81 POLB (0.34) POLB
SCHEMBL978374 0.79 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19SMN1; SMN2POLB
SCHEMBL976995 0.78 TSHR (0.33) NPC1KMT2AUSP2ALDH1A1
SCHEMBL979022 0.78 TSHR (0.33) NPC1KMT2AUSP2ALDH1A1
SCHEMBL976992 0.78 TSHR (0.33) NPC1KMT2AUSP2ALDH1A1
SCHEMBL975843 0.76 MAPT (0.34) LMNAHSD17B10KMT2AUSP2ALDH1A1
SCHEMBL975842 0.76 MAPT (0.34) LMNAHSD17B10KMT2AUSP2ALDH1A1
SCHEMBL976924 0.76 MAPT (0.34) LMNAHSD17B10KMT2AUSP2ALDH1A1
SCHEMBL976140 0.74 CYP1A2 (0.32)
SCHEMBL976179 0.72 ADORA2A (0.42) SMN1; SMN2LMNAHSD17B10ALDH1A1

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-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
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 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
CN-111840294-A Method for improving resistance to skeletal muscle fatigue 赛特凯恩蒂克公司 2020-10-30 CN disclosed
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
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 US 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 (7 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 CYP3A4 3510/4885CYP2C9 3329/4885CYP2C19 3377/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 CYP3A4 4757/4885CYP2C9 4826/4885CYP2C19 4736/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CYP3A4 3510/4885CYP2C9 3329/4885CYP2C19 3377/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 CYP3A4 27/4885CYP2C9 127/4885CYP2C19 37/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 CYP3A4 3826/4885CYP2C9 4271/4885CYP2C19 4189/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CYP3A4 3510/4885CYP2C9 3329/4885CYP2C19 3377/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 CYP3A4 1918/4885CYP2C9 2350/4885CYP2C19 2432/4885

“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.