SCHEMBL975095

SCHEMBL975095

Cc1nc2[nH]c(=O)n(C)c2nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 0.43
PDE2A O00408 3/20 0.42
CHRNB2 P17787 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1E P28566 1/20 0.41
CHRNA3 P32297 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
PMP22 Q01453 2/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL976941 0.81 PDE3B (0.37) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL18954300 0.76 KDM4E (0.51) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL17813483 0.73 LMNA (0.45) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL18850911 0.73 LMNA (0.49) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL9885808 0.69 ADORA2B (0.45) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL22836260 0.68 LMNA (0.44) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL18851019 0.67 LMNA (0.46) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL18536694 0.67 PDE3B (0.51) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL979460 0.67 LMNA (0.46) ALDH1A1MAPTHPGDPDE3BPDE3A
SCHEMBL18850753 0.66 MEN1 (0.45) ALDH1A1MAPTHPGDPDE3BPDE3A

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 22 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-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 EP claimed
EP-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 EP claimed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US claimed
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYTOKINETICS, INCORPORATED (US) 2020-09-08 US 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
US-20150250784-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC. 2015-09-10 US disclosed
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. 2015-03-05 US disclosed
US-20140303366-A1 Certain 1H-Imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-Imidazo[4,5-b]pyrazin-2-ols and Methods for Their Use CYTOKINETICS, INCORPORATED 2014-10-09 US disclosed
US-8716291-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INC. (US) 2014-05-06 US disclosed
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 disclosed
US-8299248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INCORPORATED (US) 2012-10-30 US disclosed
US-8293761-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2012-10-23 US disclosed
US-7956056-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) 2011-06-07 US 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
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 (10 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 ALDH1A1 4078/4885MAPT 300/4885HPGD 2803/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 ALDH1A1 2459/4885MAPT 3527/4885HPGD 1629/4885
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, TNNT2 ALDH1A1 1865/4885MAPT 4098/4885HPGD 1469/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885MAPT 300/4885HPGD 2803/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 ALDH1A1 1112/4885MAPT 3372/4885HPGD 990/4885
US-20140303366-A1 Certain 1H-Imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-Imidazo[4,5-b]pyrazin-2-ols and Methods for Their Use TNNI3, TNNT2, TNNC1 ALDH1A1 1652/4885MAPT 3704/4885HPGD 1383/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 ALDH1A1 3954/4885MAPT 4009/4885HPGD 2305/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885MAPT 300/4885HPGD 2803/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 ALDH1A1 2480/4885MAPT 1377/4885HPGD 2156/4885
US-20150250784-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 ALDH1A1 3954/4885MAPT 4009/4885HPGD 2305/4885

“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.