SCHEMBL975633

SCHEMBL975633

CCC/C=C\Cc1cnc2nc(O)n([C@@H](C)c3ccccc3)c2n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31
APLNR P35414 5/20 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
SCHEMBL975634 1.00 ALDH1A1 (0.32) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL975635 1.00 ALDH1A1 (0.32) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL975636 1.00 ALDH1A1 (0.32) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL976199 0.84 CYP19A1 (0.39) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL976201 0.84 CYP19A1 (0.39) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL975087 0.84 ALDH1A1 (0.37) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL975088 0.84 ALDH1A1 (0.37) ALDH1A1TDP1BRD4MEN1KMT2A
SCHEMBL977982 0.81 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ACYP1A2
SCHEMBL977981 0.81 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ACYP1A2
SCHEMBL978603 0.81 CYP19A1 (0.43) APLNR

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 31 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
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
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
EP-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 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 ALDH1A1 4078/4885TDP1 388/4885BRD4 4488/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 ALDH1A1 2459/4885TDP1 790/4885BRD4 3152/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885TDP1 388/4885BRD4 4488/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 ALDH1A1 1112/4885TDP1 3675/4885BRD4 946/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 ALDH1A1 3954/4885TDP1 1209/4885BRD4 4052/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885TDP1 388/4885BRD4 4488/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 ALDH1A1 2480/4885TDP1 207/4885BRD4 1463/4885

“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.